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/Denv4_dominio3_RNAco-1be00445/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 82 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 82 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: 415
n_atoms_counter: 415
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 82.000000 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/Denv4_dominio3_RNAco-1be00445/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 82 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 82 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: 415
n_atoms_counter: 415
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 82.000000 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/Denv4_dominio3_RNAco-1be00445/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 82 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 82 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: 415
n_atoms_counter: 415
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 82.000000 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/Denv4_dominio3_RNAco-1be00445/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 82 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 82 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: 415
n_atoms_counter: 415
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 82.000000 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/Denv4_dominio3_RNAco-1be00445/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 82 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 82 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: 415
n_atoms_counter: 415
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 82.000000 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/Denv4_dominio3_RNAco-1be00445/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 82 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 82 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: 415
n_atoms_counter: 415
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 82.000000 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/Denv4_dominio3_RNAco-1be00445/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 82 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 82 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: 415
n_atoms_counter: 415
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 82.000000 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/Denv4_dominio3_RNAco-1be00445/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 82 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 82 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: 415
n_atoms_counter: 415
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 82.000000 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/Denv4_dominio3_RNAco-1be00445/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 82 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 82 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: 415
n_atoms_counter: 415
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 82.000000 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/Denv4_dominio3_RNAco-1be00445/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 82 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 82 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: 415
n_atoms_counter: 415
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 82.000000 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: -948.998529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.998529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.998529 (E_RNA)
where:
Base-Base interactions energy: -659.462
where: short stacking energy: -274.402
Base-Backbone interact. energy: 1.868
local terms energy: -291.404577
where:
bonds (distance) C4'-P energy: -50.981
bonds (distance) P-C4' energy: -67.260
flat angles C4'-P-C4' energy: -57.324
flat angles P-C4'-P energy: -40.314
tors. eta vs tors. theta energy: -75.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -948.998529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.998529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.998529 (E_RNA)
where:
Base-Base interactions energy: -659.462
where: short stacking energy: -274.402
Base-Backbone interact. energy: 1.868
local terms energy: -291.404577
where:
bonds (distance) C4'-P energy: -50.981
bonds (distance) P-C4' energy: -67.260
flat angles C4'-P-C4' energy: -57.324
flat angles P-C4'-P energy: -40.314
tors. eta vs tors. theta energy: -75.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -948.998529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.998529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.998529 (E_RNA)
where:
Base-Base interactions energy: -659.462
where: short stacking energy: -274.402
Base-Backbone interact. energy: 1.868
local terms energy: -291.404577
where:
bonds (distance) C4'-P energy: -50.981
bonds (distance) P-C4' energy: -67.260
flat angles C4'-P-C4' energy: -57.324
flat angles P-C4'-P energy: -40.314
tors. eta vs tors. theta energy: -75.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -948.998529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.998529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.998529 (E_RNA)
where:
Base-Base interactions energy: -659.462
where: short stacking energy: -274.402
Base-Backbone interact. energy: 1.868
local terms energy: -291.404577
where:
bonds (distance) C4'-P energy: -50.981
bonds (distance) P-C4' energy: -67.260
flat angles C4'-P-C4' energy: -57.324
flat angles P-C4'-P energy: -40.314
tors. eta vs tors. theta energy: -75.524
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: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -948.998529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.998529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.998529 (E_RNA)
where:
Base-Base interactions energy: -659.462
where: short stacking energy: -274.402
Base-Backbone interact. energy: 1.868
local terms energy: -291.404577
where:
bonds (distance) C4'-P energy: -50.981
bonds (distance) P-C4' energy: -67.260
flat angles C4'-P-C4' energy: -57.324
flat angles P-C4'-P energy: -40.314
tors. eta vs tors. theta energy: -75.524
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: 1
Temperature: 1.150000
Total energy: -948.998529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.998529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.998529 (E_RNA)
where:
Base-Base interactions energy: -659.462
where: short stacking energy: -274.402
Base-Backbone interact. energy: 1.868
local terms energy: -291.404577
where:
bonds (distance) C4'-P energy: -50.981
bonds (distance) P-C4' energy: -67.260
flat angles C4'-P-C4' energy: -57.324
flat angles P-C4'-P energy: -40.314
tors. eta vs tors. theta energy: -75.524
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: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -948.998529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.998529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.998529 (E_RNA)
where:
Base-Base interactions energy: -659.462
where: short stacking energy: -274.402
Base-Backbone interact. energy: 1.868
local terms energy: -291.404577
where:
bonds (distance) C4'-P energy: -50.981
bonds (distance) P-C4' energy: -67.260
flat angles C4'-P-C4' energy: -57.324
flat angles P-C4'-P energy: -40.314
tors. eta vs tors. theta energy: -75.524
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: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -948.998529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.998529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.998529 (E_RNA)
where:
Base-Base interactions energy: -659.462
where: short stacking energy: -274.402
Base-Backbone interact. energy: 1.868
local terms energy: -291.404577
where:
bonds (distance) C4'-P energy: -50.981
bonds (distance) P-C4' energy: -67.260
flat angles C4'-P-C4' energy: -57.324
flat angles P-C4'-P energy: -40.314
tors. eta vs tors. theta energy: -75.524
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: 1
Temperature: 1.300000
Total energy: -948.998529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.998529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.998529 (E_RNA)
where:
Base-Base interactions energy: -659.462
where: short stacking energy: -274.402
Base-Backbone interact. energy: 1.868
local terms energy: -291.404577
where:
bonds (distance) C4'-P energy: -50.981
bonds (distance) P-C4' energy: -67.260
flat angles C4'-P-C4' energy: -57.324
flat angles P-C4'-P energy: -40.314
tors. eta vs tors. theta energy: -75.524
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: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -948.998529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.998529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.998529 (E_RNA)
where:
Base-Base interactions energy: -659.462
where: short stacking energy: -274.402
Base-Backbone interact. energy: 1.868
local terms energy: -291.404577
where:
bonds (distance) C4'-P energy: -50.981
bonds (distance) P-C4' energy: -67.260
flat angles C4'-P-C4' energy: -57.324
flat angles P-C4'-P energy: -40.314
tors. eta vs tors. theta energy: -75.524
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: 2
Temperature: 0.900000
Total energy: -950.749225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.749225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.749225 (E_RNA)
where:
Base-Base interactions energy: -660.016
where: short stacking energy: -275.788
Base-Backbone interact. energy: 1.868
local terms energy: -292.600560
where:
bonds (distance) C4'-P energy: -52.285
bonds (distance) P-C4' energy: -66.574
flat angles C4'-P-C4' energy: -57.245
flat angles P-C4'-P energy: -41.057
tors. eta vs tors. theta energy: -75.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -950.518360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.518360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.518360 (E_RNA)
where:
Base-Base interactions energy: -660.015
where: short stacking energy: -275.785
Base-Backbone interact. energy: 1.867
local terms energy: -292.371083
where:
bonds (distance) C4'-P energy: -52.285
bonds (distance) P-C4' energy: -66.574
flat angles C4'-P-C4' energy: -56.931
flat angles P-C4'-P energy: -41.142
tors. eta vs tors. theta energy: -75.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -949.985530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.985530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.985530 (E_RNA)
where:
Base-Base interactions energy: -659.615
where: short stacking energy: -275.385
Base-Backbone interact. energy: 1.867
local terms energy: -292.237683
where:
bonds (distance) C4'-P energy: -52.285
bonds (distance) P-C4' energy: -66.574
flat angles C4'-P-C4' energy: -56.931
flat angles P-C4'-P energy: -41.009
tors. eta vs tors. theta energy: -75.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -949.526007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.526007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.526007 (E_RNA)
where:
Base-Base interactions energy: -659.156
where: short stacking energy: -275.382
Base-Backbone interact. energy: 1.867
local terms energy: -292.237683
where:
bonds (distance) C4'-P energy: -52.285
bonds (distance) P-C4' energy: -66.574
flat angles C4'-P-C4' energy: -56.931
flat angles P-C4'-P energy: -41.009
tors. eta vs tors. theta energy: -75.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -949.522186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.522186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.522186 (E_RNA)
where:
Base-Base interactions energy: -659.152
where: short stacking energy: -275.378
Base-Backbone interact. energy: 1.867
local terms energy: -292.237683
where:
bonds (distance) C4'-P energy: -52.285
bonds (distance) P-C4' energy: -66.574
flat angles C4'-P-C4' energy: -56.931
flat angles P-C4'-P energy: -41.009
tors. eta vs tors. theta energy: -75.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -949.412334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.412334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.412334 (E_RNA)
where:
Base-Base interactions energy: -659.648
where: short stacking energy: -275.535
Base-Backbone interact. energy: 1.867
local terms energy: -291.631531
where:
bonds (distance) C4'-P energy: -51.809
bonds (distance) P-C4' energy: -67.260
flat angles C4'-P-C4' energy: -56.810
flat angles P-C4'-P energy: -40.332
tors. eta vs tors. theta energy: -75.421
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: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -949.232160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.232160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.232160 (E_RNA)
where:
Base-Base interactions energy: -659.778
where: short stacking energy: -276.090
Base-Backbone interact. energy: 1.867
local terms energy: -291.321540
where:
bonds (distance) C4'-P energy: -51.337
bonds (distance) P-C4' energy: -67.257
flat angles C4'-P-C4' energy: -56.686
flat angles P-C4'-P energy: -40.602
tors. eta vs tors. theta energy: -75.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -948.750303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.750303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.750303 (E_RNA)
where:
Base-Base interactions energy: -659.296
where: short stacking energy: -276.086
Base-Backbone interact. energy: 1.867
local terms energy: -291.321540
where:
bonds (distance) C4'-P energy: -51.337
bonds (distance) P-C4' energy: -67.257
flat angles C4'-P-C4' energy: -56.686
flat angles P-C4'-P energy: -40.602
tors. eta vs tors. theta energy: -75.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -948.780414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.780414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.780414 (E_RNA)
where:
Base-Base interactions energy: -659.289
where: short stacking energy: -276.082
Base-Backbone interact. energy: 1.867
local terms energy: -291.358782
where:
bonds (distance) C4'-P energy: -51.337
bonds (distance) P-C4' energy: -67.257
flat angles C4'-P-C4' energy: -56.686
flat angles P-C4'-P energy: -40.639
tors. eta vs tors. theta energy: -75.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -949.593835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.593835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.593835 (E_RNA)
where:
Base-Base interactions energy: -660.058
where: short stacking energy: -274.997
Base-Backbone interact. energy: 1.868
local terms energy: -291.404577
where:
bonds (distance) C4'-P energy: -50.981
bonds (distance) P-C4' energy: -67.260
flat angles C4'-P-C4' energy: -57.324
flat angles P-C4'-P energy: -40.314
tors. eta vs tors. theta energy: -75.524
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: 3
Temperature: 0.900000
Total energy: -929.777425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.777425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.777425 (E_RNA)
where:
Base-Base interactions energy: -636.785
where: short stacking energy: -266.718
Base-Backbone interact. energy: -0.757
local terms energy: -292.235475
where:
bonds (distance) C4'-P energy: -56.982
bonds (distance) P-C4' energy: -59.429
flat angles C4'-P-C4' energy: -59.534
flat angles P-C4'-P energy: -41.242
tors. eta vs tors. theta energy: -75.048
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: 2
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -888.705089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.705089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.705089 (E_RNA)
where:
Base-Base interactions energy: -628.182
where: short stacking energy: -257.986
Base-Backbone interact. energy: -1.145
local terms energy: -259.378245
where:
bonds (distance) C4'-P energy: -40.659
bonds (distance) P-C4' energy: -52.695
flat angles C4'-P-C4' energy: -57.917
flat angles P-C4'-P energy: -35.904
tors. eta vs tors. theta energy: -72.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -877.896305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.896305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.896305 (E_RNA)
where:
Base-Base interactions energy: -608.455
where: short stacking energy: -265.803
Base-Backbone interact. energy: -0.098
local terms energy: -269.343256
where:
bonds (distance) C4'-P energy: -51.883
bonds (distance) P-C4' energy: -42.678
flat angles C4'-P-C4' energy: -57.617
flat angles P-C4'-P energy: -40.412
tors. eta vs tors. theta energy: -76.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -854.341629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.341629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.341629 (E_RNA)
where:
Base-Base interactions energy: -605.100
where: short stacking energy: -252.870
Base-Backbone interact. energy: 0.198
local terms energy: -249.439645
where:
bonds (distance) C4'-P energy: -43.145
bonds (distance) P-C4' energy: -48.701
flat angles C4'-P-C4' energy: -55.446
flat angles P-C4'-P energy: -34.217
tors. eta vs tors. theta energy: -67.931
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: 5, replica: 5
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -819.842263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.842263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.842263 (E_RNA)
where:
Base-Base interactions energy: -584.419
where: short stacking energy: -243.029
Base-Backbone interact. energy: -0.434
local terms energy: -234.989551
where:
bonds (distance) C4'-P energy: -37.379
bonds (distance) P-C4' energy: -39.612
flat angles C4'-P-C4' energy: -49.050
flat angles P-C4'-P energy: -42.843
tors. eta vs tors. theta energy: -66.105
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: 6, replica: 6
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -778.244041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.244041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.244041 (E_RNA)
where:
Base-Base interactions energy: -537.424
where: short stacking energy: -201.609
Base-Backbone interact. energy: 0.001
local terms energy: -240.821952
where:
bonds (distance) C4'-P energy: -47.786
bonds (distance) P-C4' energy: -36.827
flat angles C4'-P-C4' energy: -56.819
flat angles P-C4'-P energy: -39.877
tors. eta vs tors. theta energy: -59.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -751.730648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.730648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.730648 (E_RNA)
where:
Base-Base interactions energy: -537.909
where: short stacking energy: -227.352
Base-Backbone interact. energy: -0.731
local terms energy: -213.090623
where:
bonds (distance) C4'-P energy: -43.876
bonds (distance) P-C4' energy: -36.530
flat angles C4'-P-C4' energy: -53.682
flat angles P-C4'-P energy: -24.783
tors. eta vs tors. theta energy: -54.219
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: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -725.349558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.349558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.349558 (E_RNA)
where:
Base-Base interactions energy: -496.760
where: short stacking energy: -196.407
Base-Backbone interact. energy: 0.420
local terms energy: -229.009578
where:
bonds (distance) C4'-P energy: -48.920
bonds (distance) P-C4' energy: -45.223
flat angles C4'-P-C4' energy: -53.030
flat angles P-C4'-P energy: -32.383
tors. eta vs tors. theta energy: -49.454
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: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -703.984696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.984696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.984696 (E_RNA)
where:
Base-Base interactions energy: -488.464
where: short stacking energy: -215.339
Base-Backbone interact. energy: 0.160
local terms energy: -215.680521
where:
bonds (distance) C4'-P energy: -35.466
bonds (distance) P-C4' energy: -40.472
flat angles C4'-P-C4' energy: -48.633
flat angles P-C4'-P energy: -37.565
tors. eta vs tors. theta energy: -53.545
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: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -597.283668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.283668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.283668 (E_RNA)
where:
Base-Base interactions energy: -400.948
where: short stacking energy: -164.217
Base-Backbone interact. energy: 0.869
local terms energy: -197.204872
where:
bonds (distance) C4'-P energy: -41.940
bonds (distance) P-C4' energy: -50.013
flat angles C4'-P-C4' energy: -39.845
flat angles P-C4'-P energy: -30.110
tors. eta vs tors. theta energy: -35.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -923.121324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.121324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.121324 (E_RNA)
where:
Base-Base interactions energy: -651.687
where: short stacking energy: -283.682
Base-Backbone interact. energy: -1.492
local terms energy: -269.943188
where:
bonds (distance) C4'-P energy: -59.147
bonds (distance) P-C4' energy: -41.538
flat angles C4'-P-C4' energy: -54.889
flat angles P-C4'-P energy: -39.820
tors. eta vs tors. theta energy: -74.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -884.875494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.875494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.875494 (E_RNA)
where:
Base-Base interactions energy: -611.421
where: short stacking energy: -252.312
Base-Backbone interact. energy: -0.409
local terms energy: -273.045587
where:
bonds (distance) C4'-P energy: -51.298
bonds (distance) P-C4' energy: -57.202
flat angles C4'-P-C4' energy: -59.988
flat angles P-C4'-P energy: -30.666
tors. eta vs tors. theta energy: -73.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -872.860137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.860137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.860137 (E_RNA)
where:
Base-Base interactions energy: -626.239
where: short stacking energy: -260.165
Base-Backbone interact. energy: -0.885
local terms energy: -245.736329
where:
bonds (distance) C4'-P energy: -46.258
bonds (distance) P-C4' energy: -43.230
flat angles C4'-P-C4' energy: -55.545
flat angles P-C4'-P energy: -32.760
tors. eta vs tors. theta energy: -67.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -877.805837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.805837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.805837 (E_RNA)
where:
Base-Base interactions energy: -599.893
where: short stacking energy: -253.619
Base-Backbone interact. energy: -2.071
local terms energy: -275.842707
where:
bonds (distance) C4'-P energy: -50.172
bonds (distance) P-C4' energy: -52.934
flat angles C4'-P-C4' energy: -54.832
flat angles P-C4'-P energy: -44.009
tors. eta vs tors. theta energy: -73.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -824.428002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.428002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.428002 (E_RNA)
where:
Base-Base interactions energy: -584.380
where: short stacking energy: -242.332
Base-Backbone interact. energy: -2.476
local terms energy: -237.571786
where:
bonds (distance) C4'-P energy: -42.479
bonds (distance) P-C4' energy: -37.967
flat angles C4'-P-C4' energy: -54.098
flat angles P-C4'-P energy: -39.202
tors. eta vs tors. theta energy: -63.826
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: 6, replica: 6
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -711.245098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.245098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.245098 (E_RNA)
where:
Base-Base interactions energy: -481.355
where: short stacking energy: -196.776
Base-Backbone interact. energy: -0.675
local terms energy: -229.215447
where:
bonds (distance) C4'-P energy: -44.842
bonds (distance) P-C4' energy: -49.047
flat angles C4'-P-C4' energy: -55.284
flat angles P-C4'-P energy: -35.086
tors. eta vs tors. theta energy: -44.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -683.045828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.045828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.045828 (E_RNA)
where:
Base-Base interactions energy: -459.007
where: short stacking energy: -190.533
Base-Backbone interact. energy: -0.884
local terms energy: -223.154983
where:
bonds (distance) C4'-P energy: -45.302
bonds (distance) P-C4' energy: -47.691
flat angles C4'-P-C4' energy: -50.126
flat angles P-C4'-P energy: -27.356
tors. eta vs tors. theta energy: -52.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -734.943607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.943607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.943607 (E_RNA)
where:
Base-Base interactions energy: -519.072
where: short stacking energy: -211.996
Base-Backbone interact. energy: -0.460
local terms energy: -215.412326
where:
bonds (distance) C4'-P energy: -35.935
bonds (distance) P-C4' energy: -54.788
flat angles C4'-P-C4' energy: -55.263
flat angles P-C4'-P energy: -19.915
tors. eta vs tors. theta energy: -49.511
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: 8
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -618.555456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.555456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.555456 (E_RNA)
where:
Base-Base interactions energy: -414.402
where: short stacking energy: -167.450
Base-Backbone interact. energy: 3.307
local terms energy: -207.459690
where:
bonds (distance) C4'-P energy: -41.422
bonds (distance) P-C4' energy: -43.834
flat angles C4'-P-C4' energy: -41.044
flat angles P-C4'-P energy: -38.608
tors. eta vs tors. theta energy: -42.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -585.362592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.362592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.362592 (E_RNA)
where:
Base-Base interactions energy: -397.408
where: short stacking energy: -160.957
Base-Backbone interact. energy: 4.447
local terms energy: -192.401571
where:
bonds (distance) C4'-P energy: -34.044
bonds (distance) P-C4' energy: -47.571
flat angles C4'-P-C4' energy: -41.301
flat angles P-C4'-P energy: -34.426
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: 5
Temperature: 0.900000
Total energy: -916.704469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.704469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.704469 (E_RNA)
where:
Base-Base interactions energy: -642.764
where: short stacking energy: -275.793
Base-Backbone interact. energy: -1.130
local terms energy: -272.810835
where:
bonds (distance) C4'-P energy: -53.036
bonds (distance) P-C4' energy: -54.298
flat angles C4'-P-C4' energy: -57.794
flat angles P-C4'-P energy: -39.336
tors. eta vs tors. theta energy: -68.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -897.478919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.478919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.478919 (E_RNA)
where:
Base-Base interactions energy: -627.184
where: short stacking energy: -253.074
Base-Backbone interact. energy: -2.830
local terms energy: -267.464363
where:
bonds (distance) C4'-P energy: -46.177
bonds (distance) P-C4' energy: -53.069
flat angles C4'-P-C4' energy: -51.589
flat angles P-C4'-P energy: -41.343
tors. eta vs tors. theta energy: -75.287
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: 5
Temperature: 1.000000
Total energy: -856.716609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.716609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.716609 (E_RNA)
where:
Base-Base interactions energy: -594.932
where: short stacking energy: -254.006
Base-Backbone interact. energy: -2.059
local terms energy: -259.726254
where:
bonds (distance) C4'-P energy: -45.979
bonds (distance) P-C4' energy: -47.241
flat angles C4'-P-C4' energy: -51.428
flat angles P-C4'-P energy: -44.854
tors. eta vs tors. theta energy: -70.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -844.013908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.013908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.013908 (E_RNA)
where:
Base-Base interactions energy: -580.913
where: short stacking energy: -246.387
Base-Backbone interact. energy: -0.145
local terms energy: -262.955824
where:
bonds (distance) C4'-P energy: -52.215
bonds (distance) P-C4' energy: -49.508
flat angles C4'-P-C4' energy: -59.528
flat angles P-C4'-P energy: -36.997
tors. eta vs tors. theta energy: -64.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -845.435624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.435624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.435624 (E_RNA)
where:
Base-Base interactions energy: -595.469
where: short stacking energy: -256.999
Base-Backbone interact. energy: -1.026
local terms energy: -248.940950
where:
bonds (distance) C4'-P energy: -43.391
bonds (distance) P-C4' energy: -46.481
flat angles C4'-P-C4' energy: -53.283
flat angles P-C4'-P energy: -35.328
tors. eta vs tors. theta energy: -70.459
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: 9
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -744.567593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.567593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.567593 (E_RNA)
where:
Base-Base interactions energy: -496.904
where: short stacking energy: -217.533
Base-Backbone interact. energy: -0.102
local terms energy: -247.561816
where:
bonds (distance) C4'-P energy: -54.056
bonds (distance) P-C4' energy: -49.559
flat angles C4'-P-C4' energy: -52.037
flat angles P-C4'-P energy: -34.016
tors. eta vs tors. theta energy: -57.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -667.465749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.465749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.465749 (E_RNA)
where:
Base-Base interactions energy: -455.934
where: short stacking energy: -196.477
Base-Backbone interact. energy: 0.483
local terms energy: -212.015163
where:
bonds (distance) C4'-P energy: -44.412
bonds (distance) P-C4' energy: -25.736
flat angles C4'-P-C4' energy: -55.510
flat angles P-C4'-P energy: -29.258
tors. eta vs tors. theta energy: -57.099
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: 8, replica: 7
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -701.071697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.071697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.071697 (E_RNA)
where:
Base-Base interactions energy: -470.531
where: short stacking energy: -187.704
Base-Backbone interact. energy: -0.766
local terms energy: -229.773971
where:
bonds (distance) C4'-P energy: -47.867
bonds (distance) P-C4' energy: -50.096
flat angles C4'-P-C4' energy: -41.184
flat angles P-C4'-P energy: -32.570
tors. eta vs tors. theta energy: -58.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -650.592170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.592170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.592170 (E_RNA)
where:
Base-Base interactions energy: -444.632
where: short stacking energy: -177.283
Base-Backbone interact. energy: -0.811
local terms energy: -205.148607
where:
bonds (distance) C4'-P energy: -43.416
bonds (distance) P-C4' energy: -40.275
flat angles C4'-P-C4' energy: -49.642
flat angles P-C4'-P energy: -31.557
tors. eta vs tors. theta energy: -40.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -516.930690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.930690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.930690 (E_RNA)
where:
Base-Base interactions energy: -342.566
where: short stacking energy: -139.771
Base-Backbone interact. energy: -2.120
local terms energy: -172.244903
where:
bonds (distance) C4'-P energy: -42.314
bonds (distance) P-C4' energy: -32.713
flat angles C4'-P-C4' energy: -47.958
flat angles P-C4'-P energy: -27.794
tors. eta vs tors. theta energy: -21.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -897.880270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.880270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.880270 (E_RNA)
where:
Base-Base interactions energy: -622.944
where: short stacking energy: -267.187
Base-Backbone interact. energy: -0.935
local terms energy: -274.001785
where:
bonds (distance) C4'-P energy: -45.637
bonds (distance) P-C4' energy: -54.732
flat angles C4'-P-C4' energy: -60.932
flat angles P-C4'-P energy: -38.779
tors. eta vs tors. theta energy: -73.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -889.738842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.738842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.738842 (E_RNA)
where:
Base-Base interactions energy: -609.418
where: short stacking energy: -267.124
Base-Backbone interact. energy: -0.934
local terms energy: -279.387511
where:
bonds (distance) C4'-P energy: -48.476
bonds (distance) P-C4' energy: -54.208
flat angles C4'-P-C4' energy: -60.378
flat angles P-C4'-P energy: -37.531
tors. eta vs tors. theta energy: -78.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -839.175995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.175995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.175995 (E_RNA)
where:
Base-Base interactions energy: -587.964
where: short stacking energy: -263.165
Base-Backbone interact. energy: -1.714
local terms energy: -249.497822
where:
bonds (distance) C4'-P energy: -42.343
bonds (distance) P-C4' energy: -51.043
flat angles C4'-P-C4' energy: -48.086
flat angles P-C4'-P energy: -37.961
tors. eta vs tors. theta energy: -70.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -839.362908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.362908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.362908 (E_RNA)
where:
Base-Base interactions energy: -583.825
where: short stacking energy: -242.100
Base-Backbone interact. energy: -0.665
local terms energy: -254.873400
where:
bonds (distance) C4'-P energy: -42.082
bonds (distance) P-C4' energy: -48.715
flat angles C4'-P-C4' energy: -55.388
flat angles P-C4'-P energy: -44.332
tors. eta vs tors. theta energy: -64.356
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: 5, replica: 3
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -801.449312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.449312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.449312 (E_RNA)
where:
Base-Base interactions energy: -556.670
where: short stacking energy: -227.461
Base-Backbone interact. energy: -0.624
local terms energy: -244.155687
where:
bonds (distance) C4'-P energy: -38.989
bonds (distance) P-C4' energy: -52.773
flat angles C4'-P-C4' energy: -54.262
flat angles P-C4'-P energy: -33.795
tors. eta vs tors. theta energy: -64.336
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: 6, replica: 9
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -745.776092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.776092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.776092 (E_RNA)
where:
Base-Base interactions energy: -507.888
where: short stacking energy: -210.811
Base-Backbone interact. energy: -0.913
local terms energy: -236.974482
where:
bonds (distance) C4'-P energy: -42.346
bonds (distance) P-C4' energy: -45.254
flat angles C4'-P-C4' energy: -53.267
flat angles P-C4'-P energy: -40.874
tors. eta vs tors. theta energy: -55.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -606.202749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.202749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.202749 (E_RNA)
where:
Base-Base interactions energy: -412.225
where: short stacking energy: -182.276
Base-Backbone interact. energy: 4.582
local terms energy: -198.560182
where:
bonds (distance) C4'-P energy: -47.782
bonds (distance) P-C4' energy: -46.623
flat angles C4'-P-C4' energy: -44.800
flat angles P-C4'-P energy: -23.441
tors. eta vs tors. theta energy: -35.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -658.235217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.235217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.235217 (E_RNA)
where:
Base-Base interactions energy: -469.625
where: short stacking energy: -200.923
Base-Backbone interact. energy: -0.978
local terms energy: -187.631580
where:
bonds (distance) C4'-P energy: -30.312
bonds (distance) P-C4' energy: -39.744
flat angles C4'-P-C4' energy: -51.334
flat angles P-C4'-P energy: -19.756
tors. eta vs tors. theta energy: -46.485
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: 8
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -677.865970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.865970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.865970 (E_RNA)
where:
Base-Base interactions energy: -449.782
where: short stacking energy: -178.091
Base-Backbone interact. energy: -0.553
local terms energy: -227.531055
where:
bonds (distance) C4'-P energy: -42.965
bonds (distance) P-C4' energy: -50.713
flat angles C4'-P-C4' energy: -52.517
flat angles P-C4'-P energy: -32.892
tors. eta vs tors. theta energy: -48.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -402.888273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.888273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.888273 (E_RNA)
where:
Base-Base interactions energy: -238.141
where: short stacking energy: -112.969
Base-Backbone interact. energy: -1.315
local terms energy: -163.432224
where:
bonds (distance) C4'-P energy: -42.808
bonds (distance) P-C4' energy: -35.760
flat angles C4'-P-C4' energy: -45.633
flat angles P-C4'-P energy: -34.518
tors. eta vs tors. theta energy: -4.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -897.851584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.851584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.851584 (E_RNA)
where:
Base-Base interactions energy: -622.817
where: short stacking energy: -249.976
Base-Backbone interact. energy: -0.591
local terms energy: -274.443518
where:
bonds (distance) C4'-P energy: -53.772
bonds (distance) P-C4' energy: -57.654
flat angles C4'-P-C4' energy: -50.341
flat angles P-C4'-P energy: -49.128
tors. eta vs tors. theta energy: -63.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -876.322271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.322271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.322271 (E_RNA)
where:
Base-Base interactions energy: -610.883
where: short stacking energy: -258.090
Base-Backbone interact. energy: -1.038
local terms energy: -264.401663
where:
bonds (distance) C4'-P energy: -41.455
bonds (distance) P-C4' energy: -52.950
flat angles C4'-P-C4' energy: -55.503
flat angles P-C4'-P energy: -42.231
tors. eta vs tors. theta energy: -72.263
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: 4
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -845.240355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.240355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.240355 (E_RNA)
where:
Base-Base interactions energy: -572.572
where: short stacking energy: -252.960
Base-Backbone interact. energy: -2.672
local terms energy: -269.996227
where:
bonds (distance) C4'-P energy: -52.896
bonds (distance) P-C4' energy: -50.211
flat angles C4'-P-C4' energy: -58.509
flat angles P-C4'-P energy: -35.612
tors. eta vs tors. theta energy: -72.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -809.880511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.880511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.880511 (E_RNA)
where:
Base-Base interactions energy: -555.579
where: short stacking energy: -241.397
Base-Backbone interact. energy: -0.218
local terms energy: -254.084066
where:
bonds (distance) C4'-P energy: -42.987
bonds (distance) P-C4' energy: -55.487
flat angles C4'-P-C4' energy: -48.319
flat angles P-C4'-P energy: -41.147
tors. eta vs tors. theta energy: -66.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -758.819510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.819510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.819510 (E_RNA)
where:
Base-Base interactions energy: -533.823
where: short stacking energy: -225.484
Base-Backbone interact. energy: 0.028
local terms energy: -225.024701
where:
bonds (distance) C4'-P energy: -32.642
bonds (distance) P-C4' energy: -48.140
flat angles C4'-P-C4' energy: -43.655
flat angles P-C4'-P energy: -44.910
tors. eta vs tors. theta energy: -55.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -750.283793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.283793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.283793 (E_RNA)
where:
Base-Base interactions energy: -511.453
where: short stacking energy: -219.295
Base-Backbone interact. energy: -1.174
local terms energy: -237.656738
where:
bonds (distance) C4'-P energy: -45.943
bonds (distance) P-C4' energy: -48.485
flat angles C4'-P-C4' energy: -47.508
flat angles P-C4'-P energy: -32.251
tors. eta vs tors. theta energy: -63.470
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: 7, replica: 7
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -623.899708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.899708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.899708 (E_RNA)
where:
Base-Base interactions energy: -419.628
where: short stacking energy: -187.798
Base-Backbone interact. energy: -0.499
local terms energy: -203.773299
where:
bonds (distance) C4'-P energy: -35.398
bonds (distance) P-C4' energy: -41.099
flat angles C4'-P-C4' energy: -45.020
flat angles P-C4'-P energy: -34.201
tors. eta vs tors. theta energy: -48.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -646.506921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.506921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.506921 (E_RNA)
where:
Base-Base interactions energy: -429.797
where: short stacking energy: -181.692
Base-Backbone interact. energy: 2.502
local terms energy: -219.211967
where:
bonds (distance) C4'-P energy: -40.071
bonds (distance) P-C4' energy: -56.319
flat angles C4'-P-C4' energy: -44.352
flat angles P-C4'-P energy: -35.498
tors. eta vs tors. theta energy: -42.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -626.720619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.720619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.720619 (E_RNA)
where:
Base-Base interactions energy: -429.542
where: short stacking energy: -167.834
Base-Backbone interact. energy: 2.268
local terms energy: -199.447117
where:
bonds (distance) C4'-P energy: -40.700
bonds (distance) P-C4' energy: -43.077
flat angles C4'-P-C4' energy: -45.981
flat angles P-C4'-P energy: -25.840
tors. eta vs tors. theta energy: -43.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -424.261875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.261875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.261875 (E_RNA)
where:
Base-Base interactions energy: -240.696
where: short stacking energy: -118.164
Base-Backbone interact. energy: -0.560
local terms energy: -183.005505
where:
bonds (distance) C4'-P energy: -43.589
bonds (distance) P-C4' energy: -46.266
flat angles C4'-P-C4' energy: -39.503
flat angles P-C4'-P energy: -30.718
tors. eta vs tors. theta energy: -22.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -921.965398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.965398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.965398 (E_RNA)
where:
Base-Base interactions energy: -650.900
where: short stacking energy: -269.236
Base-Backbone interact. energy: -1.093
local terms energy: -269.972775
where:
bonds (distance) C4'-P energy: -55.797
bonds (distance) P-C4' energy: -48.395
flat angles C4'-P-C4' energy: -55.174
flat angles P-C4'-P energy: -36.664
tors. eta vs tors. theta energy: -73.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -901.120389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.120389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.120389 (E_RNA)
where:
Base-Base interactions energy: -628.540
where: short stacking energy: -268.148
Base-Backbone interact. energy: -1.221
local terms energy: -271.360062
where:
bonds (distance) C4'-P energy: -45.467
bonds (distance) P-C4' energy: -58.597
flat angles C4'-P-C4' energy: -52.925
flat angles P-C4'-P energy: -41.245
tors. eta vs tors. theta energy: -73.127
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: 5
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -838.371727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.371727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.371727 (E_RNA)
where:
Base-Base interactions energy: -583.267
where: short stacking energy: -263.793
Base-Backbone interact. energy: 2.097
local terms energy: -257.202254
where:
bonds (distance) C4'-P energy: -50.845
bonds (distance) P-C4' energy: -47.850
flat angles C4'-P-C4' energy: -55.200
flat angles P-C4'-P energy: -36.371
tors. eta vs tors. theta energy: -66.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -824.399045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.399045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.399045 (E_RNA)
where:
Base-Base interactions energy: -570.586
where: short stacking energy: -251.816
Base-Backbone interact. energy: -0.876
local terms energy: -252.937638
where:
bonds (distance) C4'-P energy: -36.473
bonds (distance) P-C4' energy: -48.600
flat angles C4'-P-C4' energy: -61.307
flat angles P-C4'-P energy: -39.971
tors. eta vs tors. theta energy: -66.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -811.608597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.608597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.608597 (E_RNA)
where:
Base-Base interactions energy: -539.919
where: short stacking energy: -241.601
Base-Backbone interact. energy: -3.437
local terms energy: -268.253174
where:
bonds (distance) C4'-P energy: -45.058
bonds (distance) P-C4' energy: -58.499
flat angles C4'-P-C4' energy: -58.141
flat angles P-C4'-P energy: -37.203
tors. eta vs tors. theta energy: -69.353
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: 6, replica: 9
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -719.943333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.943333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.943333 (E_RNA)
where:
Base-Base interactions energy: -485.908
where: short stacking energy: -207.402
Base-Backbone interact. energy: 2.151
local terms energy: -236.185864
where:
bonds (distance) C4'-P energy: -43.616
bonds (distance) P-C4' energy: -44.129
flat angles C4'-P-C4' energy: -50.469
flat angles P-C4'-P energy: -42.204
tors. eta vs tors. theta energy: -55.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -653.232999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.232999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.232999 (E_RNA)
where:
Base-Base interactions energy: -434.462
where: short stacking energy: -192.472
Base-Backbone interact. energy: 2.417
local terms energy: -221.188150
where:
bonds (distance) C4'-P energy: -46.757
bonds (distance) P-C4' energy: -43.058
flat angles C4'-P-C4' energy: -51.701
flat angles P-C4'-P energy: -27.480
tors. eta vs tors. theta energy: -52.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -626.335675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.335675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.335675 (E_RNA)
where:
Base-Base interactions energy: -421.862
where: short stacking energy: -171.490
Base-Backbone interact. energy: -0.241
local terms energy: -204.232586
where:
bonds (distance) C4'-P energy: -41.104
bonds (distance) P-C4' energy: -54.358
flat angles C4'-P-C4' energy: -53.731
flat angles P-C4'-P energy: -29.734
tors. eta vs tors. theta energy: -25.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -586.375672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.375672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.375672 (E_RNA)
where:
Base-Base interactions energy: -377.019
where: short stacking energy: -163.606
Base-Backbone interact. energy: -1.247
local terms energy: -208.109706
where:
bonds (distance) C4'-P energy: -41.501
bonds (distance) P-C4' energy: -42.639
flat angles C4'-P-C4' energy: -51.582
flat angles P-C4'-P energy: -32.473
tors. eta vs tors. theta energy: -39.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -428.543594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.543594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.543594 (E_RNA)
where:
Base-Base interactions energy: -267.875
where: short stacking energy: -130.623
Base-Backbone interact. energy: 3.491
local terms energy: -164.159280
where:
bonds (distance) C4'-P energy: -40.302
bonds (distance) P-C4' energy: -40.047
flat angles C4'-P-C4' energy: -45.200
flat angles P-C4'-P energy: -23.127
tors. eta vs tors. theta energy: -15.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -910.723357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.723357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.723357 (E_RNA)
where:
Base-Base interactions energy: -633.581
where: short stacking energy: -276.762
Base-Backbone interact. energy: -2.467
local terms energy: -274.675586
where:
bonds (distance) C4'-P energy: -44.113
bonds (distance) P-C4' energy: -49.178
flat angles C4'-P-C4' energy: -63.079
flat angles P-C4'-P energy: -41.309
tors. eta vs tors. theta energy: -76.996
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: 2, replica: 1
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -885.218160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.218160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.218160 (E_RNA)
where:
Base-Base interactions energy: -614.569
where: short stacking energy: -265.360
Base-Backbone interact. energy: -2.540
local terms energy: -268.108661
where:
bonds (distance) C4'-P energy: -52.635
bonds (distance) P-C4' energy: -52.057
flat angles C4'-P-C4' energy: -52.816
flat angles P-C4'-P energy: -41.784
tors. eta vs tors. theta energy: -68.816
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: 5
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -844.204459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.204459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.204459 (E_RNA)
where:
Base-Base interactions energy: -572.497
where: short stacking energy: -247.034
Base-Backbone interact. energy: -0.728
local terms energy: -270.979878
where:
bonds (distance) C4'-P energy: -52.546
bonds (distance) P-C4' energy: -50.826
flat angles C4'-P-C4' energy: -59.909
flat angles P-C4'-P energy: -43.174
tors. eta vs tors. theta energy: -64.526
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: 3
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -820.875073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.875073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.875073 (E_RNA)
where:
Base-Base interactions energy: -564.034
where: short stacking energy: -244.211
Base-Backbone interact. energy: -0.641
local terms energy: -256.199764
where:
bonds (distance) C4'-P energy: -55.003
bonds (distance) P-C4' energy: -42.485
flat angles C4'-P-C4' energy: -53.356
flat angles P-C4'-P energy: -40.966
tors. eta vs tors. theta energy: -64.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -794.023953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.023953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.023953 (E_RNA)
where:
Base-Base interactions energy: -542.508
where: short stacking energy: -221.601
Base-Backbone interact. energy: 2.158
local terms energy: -253.673976
where:
bonds (distance) C4'-P energy: -47.176
bonds (distance) P-C4' energy: -57.630
flat angles C4'-P-C4' energy: -48.167
flat angles P-C4'-P energy: -43.891
tors. eta vs tors. theta energy: -56.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -753.208477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.208477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.208477 (E_RNA)
where:
Base-Base interactions energy: -514.867
where: short stacking energy: -222.204
Base-Backbone interact. energy: -1.345
local terms energy: -236.996758
where:
bonds (distance) C4'-P energy: -32.194
bonds (distance) P-C4' energy: -43.291
flat angles C4'-P-C4' energy: -61.346
flat angles P-C4'-P energy: -34.602
tors. eta vs tors. theta energy: -65.565
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: 7
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -645.744637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.744637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.744637 (E_RNA)
where:
Base-Base interactions energy: -413.840
where: short stacking energy: -186.385
Base-Backbone interact. energy: -0.761
local terms energy: -231.143872
where:
bonds (distance) C4'-P energy: -35.220
bonds (distance) P-C4' energy: -55.496
flat angles C4'-P-C4' energy: -56.057
flat angles P-C4'-P energy: -36.742
tors. eta vs tors. theta energy: -47.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -638.577007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.577007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.577007 (E_RNA)
where:
Base-Base interactions energy: -416.170
where: short stacking energy: -166.311
Base-Backbone interact. energy: -0.918
local terms energy: -221.488519
where:
bonds (distance) C4'-P energy: -42.107
bonds (distance) P-C4' energy: -52.416
flat angles C4'-P-C4' energy: -49.188
flat angles P-C4'-P energy: -36.246
tors. eta vs tors. theta energy: -41.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -616.821769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.821769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.821769 (E_RNA)
where:
Base-Base interactions energy: -406.370
where: short stacking energy: -167.231
Base-Backbone interact. energy: 0.102
local terms energy: -210.553659
where:
bonds (distance) C4'-P energy: -36.565
bonds (distance) P-C4' energy: -51.271
flat angles C4'-P-C4' energy: -51.130
flat angles P-C4'-P energy: -30.116
tors. eta vs tors. theta energy: -41.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -444.756868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.756868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.756868 (E_RNA)
where:
Base-Base interactions energy: -279.026
where: short stacking energy: -134.094
Base-Backbone interact. energy: 0.592
local terms energy: -166.323131
where:
bonds (distance) C4'-P energy: -24.022
bonds (distance) P-C4' energy: -51.427
flat angles C4'-P-C4' energy: -35.727
flat angles P-C4'-P energy: -26.699
tors. eta vs tors. theta energy: -28.448
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: 1
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -917.044357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.044357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.044357 (E_RNA)
where:
Base-Base interactions energy: -644.441
where: short stacking energy: -257.669
Base-Backbone interact. energy: -0.768
local terms energy: -271.835838
where:
bonds (distance) C4'-P energy: -54.718
bonds (distance) P-C4' energy: -46.508
flat angles C4'-P-C4' energy: -59.161
flat angles P-C4'-P energy: -40.785
tors. eta vs tors. theta energy: -70.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -892.329035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.329035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.329035 (E_RNA)
where:
Base-Base interactions energy: -610.641
where: short stacking energy: -247.526
Base-Backbone interact. energy: 0.685
local terms energy: -282.372479
where:
bonds (distance) C4'-P energy: -53.833
bonds (distance) P-C4' energy: -50.099
flat angles C4'-P-C4' energy: -58.021
flat angles P-C4'-P energy: -46.329
tors. eta vs tors. theta energy: -74.090
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: 10
Temperature: 1.000000
Total energy: -862.274877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.274877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.274877 (E_RNA)
where:
Base-Base interactions energy: -586.375
where: short stacking energy: -266.035
Base-Backbone interact. energy: -0.030
local terms energy: -275.870401
where:
bonds (distance) C4'-P energy: -52.757
bonds (distance) P-C4' energy: -56.489
flat angles C4'-P-C4' energy: -54.386
flat angles P-C4'-P energy: -44.120
tors. eta vs tors. theta energy: -68.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -844.340525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.340525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.340525 (E_RNA)
where:
Base-Base interactions energy: -597.563
where: short stacking energy: -244.760
Base-Backbone interact. energy: -0.871
local terms energy: -245.906169
where:
bonds (distance) C4'-P energy: -49.056
bonds (distance) P-C4' energy: -38.987
flat angles C4'-P-C4' energy: -58.271
flat angles P-C4'-P energy: -33.433
tors. eta vs tors. theta energy: -66.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -792.729163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.729163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.729163 (E_RNA)
where:
Base-Base interactions energy: -544.560
where: short stacking energy: -238.108
Base-Backbone interact. energy: -0.047
local terms energy: -248.122747
where:
bonds (distance) C4'-P energy: -41.938
bonds (distance) P-C4' energy: -39.529
flat angles C4'-P-C4' energy: -54.324
flat angles P-C4'-P energy: -44.450
tors. eta vs tors. theta energy: -67.882
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: 6, replica: 4
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -738.906962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.906962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.906962 (E_RNA)
where:
Base-Base interactions energy: -536.366
where: short stacking energy: -245.233
Base-Backbone interact. energy: -1.508
local terms energy: -201.032664
where:
bonds (distance) C4'-P energy: -29.707
bonds (distance) P-C4' energy: -36.294
flat angles C4'-P-C4' energy: -48.109
flat angles P-C4'-P energy: -26.333
tors. eta vs tors. theta energy: -60.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -669.995965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.995965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.995965 (E_RNA)
where:
Base-Base interactions energy: -458.822
where: short stacking energy: -200.794
Base-Backbone interact. energy: -0.977
local terms energy: -210.196567
where:
bonds (distance) C4'-P energy: -41.278
bonds (distance) P-C4' energy: -44.747
flat angles C4'-P-C4' energy: -57.458
flat angles P-C4'-P energy: -21.565
tors. eta vs tors. theta energy: -45.148
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: 7
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -641.140738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.140738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.140738 (E_RNA)
where:
Base-Base interactions energy: -418.544
where: short stacking energy: -174.022
Base-Backbone interact. energy: -0.565
local terms energy: -222.031603
where:
bonds (distance) C4'-P energy: -45.600
bonds (distance) P-C4' energy: -46.457
flat angles C4'-P-C4' energy: -53.041
flat angles P-C4'-P energy: -26.592
tors. eta vs tors. theta energy: -50.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -597.986619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.986619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.986619 (E_RNA)
where:
Base-Base interactions energy: -396.674
where: short stacking energy: -160.820
Base-Backbone interact. energy: -1.650
local terms energy: -199.662348
where:
bonds (distance) C4'-P energy: -45.591
bonds (distance) P-C4' energy: -52.857
flat angles C4'-P-C4' energy: -47.331
flat angles P-C4'-P energy: -16.811
tors. eta vs tors. theta energy: -37.072
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: 10
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -397.196800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.196800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.196800 (E_RNA)
where:
Base-Base interactions energy: -216.799
where: short stacking energy: -112.882
Base-Backbone interact. energy: 0.226
local terms energy: -180.624092
where:
bonds (distance) C4'-P energy: -33.936
bonds (distance) P-C4' energy: -46.221
flat angles C4'-P-C4' energy: -47.353
flat angles P-C4'-P energy: -29.792
tors. eta vs tors. theta energy: -23.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -920.512485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.512485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.512485 (E_RNA)
where:
Base-Base interactions energy: -639.563
where: short stacking energy: -267.281
Base-Backbone interact. energy: -1.493
local terms energy: -279.456526
where:
bonds (distance) C4'-P energy: -50.900
bonds (distance) P-C4' energy: -60.017
flat angles C4'-P-C4' energy: -54.198
flat angles P-C4'-P energy: -36.420
tors. eta vs tors. theta energy: -77.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -888.943715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.943715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.943715 (E_RNA)
where:
Base-Base interactions energy: -619.317
where: short stacking energy: -259.187
Base-Backbone interact. energy: -0.454
local terms energy: -269.172840
where:
bonds (distance) C4'-P energy: -45.463
bonds (distance) P-C4' energy: -48.701
flat angles C4'-P-C4' energy: -62.195
flat angles P-C4'-P energy: -39.129
tors. eta vs tors. theta energy: -73.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -848.045719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.045719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.045719 (E_RNA)
where:
Base-Base interactions energy: -587.936
where: short stacking energy: -261.381
Base-Backbone interact. energy: -2.213
local terms energy: -257.896530
where:
bonds (distance) C4'-P energy: -46.454
bonds (distance) P-C4' energy: -51.978
flat angles C4'-P-C4' energy: -62.459
flat angles P-C4'-P energy: -30.777
tors. eta vs tors. theta energy: -66.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -814.283371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.283371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.283371 (E_RNA)
where:
Base-Base interactions energy: -543.300
where: short stacking energy: -235.491
Base-Backbone interact. energy: -1.273
local terms energy: -269.710729
where:
bonds (distance) C4'-P energy: -45.305
bonds (distance) P-C4' energy: -54.319
flat angles C4'-P-C4' energy: -60.220
flat angles P-C4'-P energy: -42.970
tors. eta vs tors. theta energy: -66.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -776.374456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.374456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.374456 (E_RNA)
where:
Base-Base interactions energy: -530.622
where: short stacking energy: -225.750
Base-Backbone interact. energy: -0.599
local terms energy: -245.153306
where:
bonds (distance) C4'-P energy: -50.769
bonds (distance) P-C4' energy: -51.410
flat angles C4'-P-C4' energy: -48.034
flat angles P-C4'-P energy: -29.181
tors. eta vs tors. theta energy: -65.759
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: 4
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -712.443989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.443989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.443989 (E_RNA)
where:
Base-Base interactions energy: -488.143
where: short stacking energy: -196.661
Base-Backbone interact. energy: -1.544
local terms energy: -222.757510
where:
bonds (distance) C4'-P energy: -38.422
bonds (distance) P-C4' energy: -51.978
flat angles C4'-P-C4' energy: -50.981
flat angles P-C4'-P energy: -36.827
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: 7, replica: 8
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -668.819362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.819362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.819362 (E_RNA)
where:
Base-Base interactions energy: -437.923
where: short stacking energy: -200.843
Base-Backbone interact. energy: -1.061
local terms energy: -229.835085
where:
bonds (distance) C4'-P energy: -47.127
bonds (distance) P-C4' energy: -42.917
flat angles C4'-P-C4' energy: -48.944
flat angles P-C4'-P energy: -33.888
tors. eta vs tors. theta energy: -56.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -637.593003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.593003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.593003 (E_RNA)
where:
Base-Base interactions energy: -417.325
where: short stacking energy: -187.520
Base-Backbone interact. energy: -0.400
local terms energy: -219.867284
where:
bonds (distance) C4'-P energy: -48.508
bonds (distance) P-C4' energy: -48.886
flat angles C4'-P-C4' energy: -44.883
flat angles P-C4'-P energy: -37.427
tors. eta vs tors. theta energy: -40.163
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: 6
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -575.947944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.947944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.947944 (E_RNA)
where:
Base-Base interactions energy: -372.910
where: short stacking energy: -160.879
Base-Backbone interact. energy: -2.633
local terms energy: -200.404429
where:
bonds (distance) C4'-P energy: -45.367
bonds (distance) P-C4' energy: -46.068
flat angles C4'-P-C4' energy: -47.238
flat angles P-C4'-P energy: -32.429
tors. eta vs tors. theta energy: -29.302
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: 10, replica: 10
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -379.158615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.158615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.158615 (E_RNA)
where:
Base-Base interactions energy: -197.051
where: short stacking energy: -96.308
Base-Backbone interact. energy: -0.831
local terms energy: -181.276076
where:
bonds (distance) C4'-P energy: -57.836
bonds (distance) P-C4' energy: -43.218
flat angles C4'-P-C4' energy: -44.321
flat angles P-C4'-P energy: -19.708
tors. eta vs tors. theta energy: -16.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -907.448783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.448783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.448783 (E_RNA)
where:
Base-Base interactions energy: -631.127
where: short stacking energy: -269.407
Base-Backbone interact. energy: 1.631
local terms energy: -277.952775
where:
bonds (distance) C4'-P energy: -52.897
bonds (distance) P-C4' energy: -54.919
flat angles C4'-P-C4' energy: -58.667
flat angles P-C4'-P energy: -37.954
tors. eta vs tors. theta energy: -73.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -886.416233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.416233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.416233 (E_RNA)
where:
Base-Base interactions energy: -615.784
where: short stacking energy: -267.978
Base-Backbone interact. energy: 0.508
local terms energy: -271.139706
where:
bonds (distance) C4'-P energy: -52.971
bonds (distance) P-C4' energy: -51.346
flat angles C4'-P-C4' energy: -53.396
flat angles P-C4'-P energy: -41.244
tors. eta vs tors. theta energy: -72.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -859.258545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.258545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.258545 (E_RNA)
where:
Base-Base interactions energy: -596.719
where: short stacking energy: -263.281
Base-Backbone interact. energy: -2.576
local terms energy: -259.963687
where:
bonds (distance) C4'-P energy: -50.082
bonds (distance) P-C4' energy: -49.453
flat angles C4'-P-C4' energy: -54.830
flat angles P-C4'-P energy: -39.462
tors. eta vs tors. theta energy: -66.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -780.703753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.703753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.703753 (E_RNA)
where:
Base-Base interactions energy: -528.417
where: short stacking energy: -242.822
Base-Backbone interact. energy: -0.604
local terms energy: -251.682531
where:
bonds (distance) C4'-P energy: -53.654
bonds (distance) P-C4' energy: -41.441
flat angles C4'-P-C4' energy: -56.423
flat angles P-C4'-P energy: -33.842
tors. eta vs tors. theta energy: -66.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -770.255107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.255107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.255107 (E_RNA)
where:
Base-Base interactions energy: -540.419
where: short stacking energy: -214.752
Base-Backbone interact. energy: -1.398
local terms energy: -228.438666
where:
bonds (distance) C4'-P energy: -45.158
bonds (distance) P-C4' energy: -51.198
flat angles C4'-P-C4' energy: -47.764
flat angles P-C4'-P energy: -28.449
tors. eta vs tors. theta energy: -55.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -706.917647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.917647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.917647 (E_RNA)
where:
Base-Base interactions energy: -489.326
where: short stacking energy: -205.904
Base-Backbone interact. energy: -1.970
local terms energy: -215.621789
where:
bonds (distance) C4'-P energy: -45.213
bonds (distance) P-C4' energy: -41.416
flat angles C4'-P-C4' energy: -43.543
flat angles P-C4'-P energy: -38.326
tors. eta vs tors. theta energy: -47.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -636.260411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.260411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.260411 (E_RNA)
where:
Base-Base interactions energy: -426.430
where: short stacking energy: -193.969
Base-Backbone interact. energy: -1.483
local terms energy: -208.347322
where:
bonds (distance) C4'-P energy: -46.666
bonds (distance) P-C4' energy: -46.652
flat angles C4'-P-C4' energy: -47.193
flat angles P-C4'-P energy: -25.988
tors. eta vs tors. theta energy: -41.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -680.100932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.100932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.100932 (E_RNA)
where:
Base-Base interactions energy: -455.065
where: short stacking energy: -186.623
Base-Backbone interact. energy: 0.923
local terms energy: -225.959368
where:
bonds (distance) C4'-P energy: -52.649
bonds (distance) P-C4' energy: -37.729
flat angles C4'-P-C4' energy: -51.365
flat angles P-C4'-P energy: -42.491
tors. eta vs tors. theta energy: -41.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -590.926939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.926939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.926939 (E_RNA)
where:
Base-Base interactions energy: -388.626
where: short stacking energy: -182.942
Base-Backbone interact. energy: 0.325
local terms energy: -202.625969
where:
bonds (distance) C4'-P energy: -42.285
bonds (distance) P-C4' energy: -38.406
flat angles C4'-P-C4' energy: -48.280
flat angles P-C4'-P energy: -29.797
tors. eta vs tors. theta energy: -43.858
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: 10
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -333.016910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.016910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.016910 (E_RNA)
where:
Base-Base interactions energy: -166.079
where: short stacking energy: -88.240
Base-Backbone interact. energy: 1.131
local terms energy: -168.068245
where:
bonds (distance) C4'-P energy: -44.024
bonds (distance) P-C4' energy: -37.613
flat angles C4'-P-C4' energy: -50.536
flat angles P-C4'-P energy: -20.759
tors. eta vs tors. theta energy: -15.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -914.010333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.010333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.010333 (E_RNA)
where:
Base-Base interactions energy: -639.240
where: short stacking energy: -265.461
Base-Backbone interact. energy: -2.196
local terms energy: -272.575128
where:
bonds (distance) C4'-P energy: -45.557
bonds (distance) P-C4' energy: -55.476
flat angles C4'-P-C4' energy: -59.605
flat angles P-C4'-P energy: -39.871
tors. eta vs tors. theta energy: -72.066
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: 2, replica: 5
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -855.266609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.266609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.266609 (E_RNA)
where:
Base-Base interactions energy: -595.096
where: short stacking energy: -248.129
Base-Backbone interact. energy: 0.009
local terms energy: -260.179149
where:
bonds (distance) C4'-P energy: -48.596
bonds (distance) P-C4' energy: -59.892
flat angles C4'-P-C4' energy: -53.522
flat angles P-C4'-P energy: -34.457
tors. eta vs tors. theta energy: -63.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -874.171848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.171848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.171848 (E_RNA)
where:
Base-Base interactions energy: -601.713
where: short stacking energy: -265.955
Base-Backbone interact. energy: 0.409
local terms energy: -272.867580
where:
bonds (distance) C4'-P energy: -50.335
bonds (distance) P-C4' energy: -47.754
flat angles C4'-P-C4' energy: -50.350
flat angles P-C4'-P energy: -46.790
tors. eta vs tors. theta energy: -77.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -826.594349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.594349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.594349 (E_RNA)
where:
Base-Base interactions energy: -582.011
where: short stacking energy: -243.679
Base-Backbone interact. energy: 1.166
local terms energy: -245.749420
where:
bonds (distance) C4'-P energy: -43.307
bonds (distance) P-C4' energy: -46.764
flat angles C4'-P-C4' energy: -44.487
flat angles P-C4'-P energy: -38.856
tors. eta vs tors. theta energy: -72.336
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: 9
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -783.611453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.611453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.611453 (E_RNA)
where:
Base-Base interactions energy: -541.195
where: short stacking energy: -229.027
Base-Backbone interact. energy: -1.146
local terms energy: -241.270355
where:
bonds (distance) C4'-P energy: -41.241
bonds (distance) P-C4' energy: -46.472
flat angles C4'-P-C4' energy: -52.288
flat angles P-C4'-P energy: -42.447
tors. eta vs tors. theta energy: -58.822
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: 4
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -681.442809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.442809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.442809 (E_RNA)
where:
Base-Base interactions energy: -463.678
where: short stacking energy: -191.779
Base-Backbone interact. energy: -0.696
local terms energy: -217.069015
where:
bonds (distance) C4'-P energy: -41.837
bonds (distance) P-C4' energy: -43.423
flat angles C4'-P-C4' energy: -47.061
flat angles P-C4'-P energy: -32.165
tors. eta vs tors. theta energy: -52.583
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: 7, replica: 7
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -616.218858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.218858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.218858 (E_RNA)
where:
Base-Base interactions energy: -407.950
where: short stacking energy: -179.341
Base-Backbone interact. energy: -1.176
local terms energy: -207.093023
where:
bonds (distance) C4'-P energy: -53.036
bonds (distance) P-C4' energy: -46.539
flat angles C4'-P-C4' energy: -40.056
flat angles P-C4'-P energy: -30.882
tors. eta vs tors. theta energy: -36.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -561.292545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.292545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.292545 (E_RNA)
where:
Base-Base interactions energy: -368.315
where: short stacking energy: -161.437
Base-Backbone interact. energy: -0.902
local terms energy: -192.075814
where:
bonds (distance) C4'-P energy: -30.162
bonds (distance) P-C4' energy: -50.128
flat angles C4'-P-C4' energy: -49.876
flat angles P-C4'-P energy: -28.377
tors. eta vs tors. theta energy: -33.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -565.748367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.748367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.748367 (E_RNA)
where:
Base-Base interactions energy: -375.826
where: short stacking energy: -151.805
Base-Backbone interact. energy: 0.370
local terms energy: -190.291705
where:
bonds (distance) C4'-P energy: -39.691
bonds (distance) P-C4' energy: -43.139
flat angles C4'-P-C4' energy: -48.097
flat angles P-C4'-P energy: -28.626
tors. eta vs tors. theta energy: -30.738
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: 10
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -280.392624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.392624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.392624 (E_RNA)
where:
Base-Base interactions energy: -135.019
where: short stacking energy: -71.352
Base-Backbone interact. energy: -0.962
local terms energy: -144.411536
where:
bonds (distance) C4'-P energy: -50.951
bonds (distance) P-C4' energy: -41.129
flat angles C4'-P-C4' energy: -28.739
flat angles P-C4'-P energy: -23.945
tors. eta vs tors. theta energy: 0.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -906.067366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.067366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.067366 (E_RNA)
where:
Base-Base interactions energy: -630.686
where: short stacking energy: -269.473
Base-Backbone interact. energy: -2.045
local terms energy: -273.336326
where:
bonds (distance) C4'-P energy: -54.227
bonds (distance) P-C4' energy: -51.803
flat angles C4'-P-C4' energy: -56.550
flat angles P-C4'-P energy: -40.575
tors. eta vs tors. theta energy: -70.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -862.681339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.681339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.681339 (E_RNA)
where:
Base-Base interactions energy: -585.685
where: short stacking energy: -262.133
Base-Backbone interact. energy: -1.847
local terms energy: -275.149155
where:
bonds (distance) C4'-P energy: -50.211
bonds (distance) P-C4' energy: -52.394
flat angles C4'-P-C4' energy: -55.641
flat angles P-C4'-P energy: -41.246
tors. eta vs tors. theta energy: -75.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -900.230844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.230844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.230844 (E_RNA)
where:
Base-Base interactions energy: -626.647
where: short stacking energy: -264.989
Base-Backbone interact. energy: -0.757
local terms energy: -272.827139
where:
bonds (distance) C4'-P energy: -43.889
bonds (distance) P-C4' energy: -50.802
flat angles C4'-P-C4' energy: -53.932
flat angles P-C4'-P energy: -46.278
tors. eta vs tors. theta energy: -77.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -812.255465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.255465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.255465 (E_RNA)
where:
Base-Base interactions energy: -554.570
where: short stacking energy: -241.509
Base-Backbone interact. energy: -1.531
local terms energy: -256.154502
where:
bonds (distance) C4'-P energy: -50.784
bonds (distance) P-C4' energy: -46.527
flat angles C4'-P-C4' energy: -59.871
flat angles P-C4'-P energy: -33.650
tors. eta vs tors. theta energy: -65.322
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: 9
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -745.398969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.398969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.398969 (E_RNA)
where:
Base-Base interactions energy: -506.896
where: short stacking energy: -208.082
Base-Backbone interact. energy: -0.194
local terms energy: -238.308973
where:
bonds (distance) C4'-P energy: -47.112
bonds (distance) P-C4' energy: -48.885
flat angles C4'-P-C4' energy: -47.942
flat angles P-C4'-P energy: -42.072
tors. eta vs tors. theta energy: -52.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -715.368535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.368535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.368535 (E_RNA)
where:
Base-Base interactions energy: -495.108
where: short stacking energy: -212.119
Base-Backbone interact. energy: 2.100
local terms energy: -222.359640
where:
bonds (distance) C4'-P energy: -44.092
bonds (distance) P-C4' energy: -42.103
flat angles C4'-P-C4' energy: -49.421
flat angles P-C4'-P energy: -29.882
tors. eta vs tors. theta energy: -56.861
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: 7
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -664.102865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.102865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.102865 (E_RNA)
where:
Base-Base interactions energy: -434.395
where: short stacking energy: -203.905
Base-Backbone interact. energy: -1.928
local terms energy: -227.780127
where:
bonds (distance) C4'-P energy: -40.082
bonds (distance) P-C4' energy: -49.089
flat angles C4'-P-C4' energy: -50.457
flat angles P-C4'-P energy: -36.146
tors. eta vs tors. theta energy: -52.007
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: 6
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -598.745765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.745765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.745765 (E_RNA)
where:
Base-Base interactions energy: -399.386
where: short stacking energy: -188.673
Base-Backbone interact. energy: 2.199
local terms energy: -201.558934
where:
bonds (distance) C4'-P energy: -43.304
bonds (distance) P-C4' energy: -39.867
flat angles C4'-P-C4' energy: -45.981
flat angles P-C4'-P energy: -30.024
tors. eta vs tors. theta energy: -42.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -543.095646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.095646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.095646 (E_RNA)
where:
Base-Base interactions energy: -370.885
where: short stacking energy: -173.548
Base-Backbone interact. energy: 1.816
local terms energy: -174.026321
where:
bonds (distance) C4'-P energy: -49.582
bonds (distance) P-C4' energy: -36.861
flat angles C4'-P-C4' energy: -43.602
flat angles P-C4'-P energy: -9.758
tors. eta vs tors. theta energy: -34.223
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: 10, replica: 10
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -264.269301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.269301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.269301 (E_RNA)
where:
Base-Base interactions energy: -117.696
where: short stacking energy: -61.324
Base-Backbone interact. energy: 1.331
local terms energy: -147.904631
where:
bonds (distance) C4'-P energy: -39.280
bonds (distance) P-C4' energy: -52.552
flat angles C4'-P-C4' energy: -38.624
flat angles P-C4'-P energy: -24.974
tors. eta vs tors. theta energy: 7.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -914.357777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.357777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.357777 (E_RNA)
where:
Base-Base interactions energy: -636.910
where: short stacking energy: -257.106
Base-Backbone interact. energy: -2.049
local terms energy: -275.399231
where:
bonds (distance) C4'-P energy: -53.122
bonds (distance) P-C4' energy: -61.475
flat angles C4'-P-C4' energy: -58.744
flat angles P-C4'-P energy: -33.952
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: 2, replica: 2
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -886.240575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.240575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.240575 (E_RNA)
where:
Base-Base interactions energy: -618.206
where: short stacking energy: -232.820
Base-Backbone interact. energy: -1.310
local terms energy: -266.724531
where:
bonds (distance) C4'-P energy: -49.392
bonds (distance) P-C4' energy: -53.193
flat angles C4'-P-C4' energy: -54.754
flat angles P-C4'-P energy: -41.262
tors. eta vs tors. theta energy: -68.123
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: 3, replica: 5
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -846.255110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.255110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.255110 (E_RNA)
where:
Base-Base interactions energy: -575.237
where: short stacking energy: -254.087
Base-Backbone interact. energy: -1.450
local terms energy: -269.568198
where:
bonds (distance) C4'-P energy: -52.780
bonds (distance) P-C4' energy: -48.994
flat angles C4'-P-C4' energy: -58.818
flat angles P-C4'-P energy: -39.027
tors. eta vs tors. theta energy: -69.949
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: 15
Temperature: 1.050000
Total energy: -792.749232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.749232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.749232 (E_RNA)
where:
Base-Base interactions energy: -548.698
where: short stacking energy: -247.546
Base-Backbone interact. energy: -1.857
local terms energy: -242.194258
where:
bonds (distance) C4'-P energy: -47.110
bonds (distance) P-C4' energy: -53.360
flat angles C4'-P-C4' energy: -54.604
flat angles P-C4'-P energy: -32.271
tors. eta vs tors. theta energy: -54.850
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: 3
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -778.484935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.484935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.484935 (E_RNA)
where:
Base-Base interactions energy: -532.869
where: short stacking energy: -228.110
Base-Backbone interact. energy: 1.804
local terms energy: -247.419776
where:
bonds (distance) C4'-P energy: -55.960
bonds (distance) P-C4' energy: -38.294
flat angles C4'-P-C4' energy: -53.568
flat angles P-C4'-P energy: -37.538
tors. eta vs tors. theta energy: -62.060
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: 6, replica: 4
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -704.914552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.914552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.914552 (E_RNA)
where:
Base-Base interactions energy: -490.293
where: short stacking energy: -222.503
Base-Backbone interact. energy: 2.004
local terms energy: -216.625528
where:
bonds (distance) C4'-P energy: -41.229
bonds (distance) P-C4' energy: -39.914
flat angles C4'-P-C4' energy: -49.983
flat angles P-C4'-P energy: -31.415
tors. eta vs tors. theta energy: -54.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -653.649293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.649293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.649293 (E_RNA)
where:
Base-Base interactions energy: -426.969
where: short stacking energy: -196.614
Base-Backbone interact. energy: -1.299
local terms energy: -225.381217
where:
bonds (distance) C4'-P energy: -47.215
bonds (distance) P-C4' energy: -43.419
flat angles C4'-P-C4' energy: -53.114
flat angles P-C4'-P energy: -39.981
tors. eta vs tors. theta energy: -41.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -587.409177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.409177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.409177 (E_RNA)
where:
Base-Base interactions energy: -382.017
where: short stacking energy: -161.005
Base-Backbone interact. energy: -1.044
local terms energy: -204.348341
where:
bonds (distance) C4'-P energy: -45.861
bonds (distance) P-C4' energy: -43.716
flat angles C4'-P-C4' energy: -42.313
flat angles P-C4'-P energy: -31.277
tors. eta vs tors. theta energy: -41.182
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: 8
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -538.829209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.829209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.829209 (E_RNA)
where:
Base-Base interactions energy: -355.540
where: short stacking energy: -165.344
Base-Backbone interact. energy: -0.612
local terms energy: -182.677536
where:
bonds (distance) C4'-P energy: -39.074
bonds (distance) P-C4' energy: -41.981
flat angles C4'-P-C4' energy: -39.962
flat angles P-C4'-P energy: -28.111
tors. eta vs tors. theta energy: -33.550
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: 10
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -235.554519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.554519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.554519 (E_RNA)
where:
Base-Base interactions energy: -108.896
where: short stacking energy: -63.651
Base-Backbone interact. energy: -1.243
local terms energy: -125.415708
where:
bonds (distance) C4'-P energy: -50.689
bonds (distance) P-C4' energy: -45.990
flat angles C4'-P-C4' energy: -25.256
flat angles P-C4'-P energy: -15.810
tors. eta vs tors. theta energy: 12.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -897.309467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.309467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.309467 (E_RNA)
where:
Base-Base interactions energy: -635.832
where: short stacking energy: -264.768
Base-Backbone interact. energy: -0.823
local terms energy: -260.654890
where:
bonds (distance) C4'-P energy: -43.562
bonds (distance) P-C4' energy: -52.740
flat angles C4'-P-C4' energy: -57.747
flat angles P-C4'-P energy: -36.315
tors. eta vs tors. theta energy: -70.291
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: 2
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -878.751388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.751388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.751388 (E_RNA)
where:
Base-Base interactions energy: -595.948
where: short stacking energy: -261.859
Base-Backbone interact. energy: -2.040
local terms energy: -280.763911
where:
bonds (distance) C4'-P energy: -50.796
bonds (distance) P-C4' energy: -49.367
flat angles C4'-P-C4' energy: -65.960
flat angles P-C4'-P energy: -39.179
tors. eta vs tors. theta energy: -75.462
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: 5
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -874.846922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.846922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.846922 (E_RNA)
where:
Base-Base interactions energy: -606.046
where: short stacking energy: -270.615
Base-Backbone interact. energy: -0.545
local terms energy: -268.255878
where:
bonds (distance) C4'-P energy: -50.498
bonds (distance) P-C4' energy: -45.391
flat angles C4'-P-C4' energy: -59.346
flat angles P-C4'-P energy: -38.958
tors. eta vs tors. theta energy: -74.063
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: 9
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -768.172234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.172234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.172234 (E_RNA)
where:
Base-Base interactions energy: -533.687
where: short stacking energy: -214.730
Base-Backbone interact. energy: -0.752
local terms energy: -233.733045
where:
bonds (distance) C4'-P energy: -32.346
bonds (distance) P-C4' energy: -58.962
flat angles C4'-P-C4' energy: -54.113
flat angles P-C4'-P energy: -39.339
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: 5, replica: 4
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -762.851078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.851078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.851078 (E_RNA)
where:
Base-Base interactions energy: -527.829
where: short stacking energy: -232.512
Base-Backbone interact. energy: -0.315
local terms energy: -234.706799
where:
bonds (distance) C4'-P energy: -37.209
bonds (distance) P-C4' energy: -51.987
flat angles C4'-P-C4' energy: -51.798
flat angles P-C4'-P energy: -25.488
tors. eta vs tors. theta energy: -68.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -761.745170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.745170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.745170 (E_RNA)
where:
Base-Base interactions energy: -532.153
where: short stacking energy: -233.407
Base-Backbone interact. energy: 2.380
local terms energy: -231.972088
where:
bonds (distance) C4'-P energy: -44.297
bonds (distance) P-C4' energy: -42.991
flat angles C4'-P-C4' energy: -56.218
flat angles P-C4'-P energy: -31.933
tors. eta vs tors. theta energy: -56.534
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: 7
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -670.557194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.557194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.557194 (E_RNA)
where:
Base-Base interactions energy: -446.776
where: short stacking energy: -192.704
Base-Backbone interact. energy: -1.545
local terms energy: -222.236526
where:
bonds (distance) C4'-P energy: -43.134
bonds (distance) P-C4' energy: -49.522
flat angles C4'-P-C4' energy: -49.620
flat angles P-C4'-P energy: -33.631
tors. eta vs tors. theta energy: -46.329
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: 6
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -556.596921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.596921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.596921 (E_RNA)
where:
Base-Base interactions energy: -368.103
where: short stacking energy: -168.926
Base-Backbone interact. energy: 4.895
local terms energy: -193.388240
where:
bonds (distance) C4'-P energy: -43.323
bonds (distance) P-C4' energy: -47.002
flat angles C4'-P-C4' energy: -39.512
flat angles P-C4'-P energy: -34.667
tors. eta vs tors. theta energy: -28.885
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: 8
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -537.774602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.774602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.774602 (E_RNA)
where:
Base-Base interactions energy: -344.886
where: short stacking energy: -144.021
Base-Backbone interact. energy: -0.764
local terms energy: -192.124565
where:
bonds (distance) C4'-P energy: -41.386
bonds (distance) P-C4' energy: -56.195
flat angles C4'-P-C4' energy: -48.388
flat angles P-C4'-P energy: -26.292
tors. eta vs tors. theta energy: -19.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -230.286852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.286852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.286852 (E_RNA)
where:
Base-Base interactions energy: -78.418
where: short stacking energy: -69.506
Base-Backbone interact. energy: -2.710
local terms energy: -149.158745
where:
bonds (distance) C4'-P energy: -47.575
bonds (distance) P-C4' energy: -48.354
flat angles C4'-P-C4' energy: -31.739
flat angles P-C4'-P energy: -25.387
tors. eta vs tors. theta energy: 3.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -921.018948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.018948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.018948 (E_RNA)
where:
Base-Base interactions energy: -632.828
where: short stacking energy: -265.138
Base-Backbone interact. energy: -1.319
local terms energy: -286.871907
where:
bonds (distance) C4'-P energy: -60.691
bonds (distance) P-C4' energy: -57.302
flat angles C4'-P-C4' energy: -55.625
flat angles P-C4'-P energy: -38.763
tors. eta vs tors. theta energy: -74.491
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: 17
Temperature: 0.950000
Total energy: -874.185465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.185465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.185465 (E_RNA)
where:
Base-Base interactions energy: -597.425
where: short stacking energy: -254.075
Base-Backbone interact. energy: 0.250
local terms energy: -277.010766
where:
bonds (distance) C4'-P energy: -45.985
bonds (distance) P-C4' energy: -58.528
flat angles C4'-P-C4' energy: -59.233
flat angles P-C4'-P energy: -41.090
tors. eta vs tors. theta energy: -72.175
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: 5
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -861.631966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.631966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.631966 (E_RNA)
where:
Base-Base interactions energy: -609.198
where: short stacking energy: -242.763
Base-Backbone interact. energy: -2.018
local terms energy: -250.415422
where:
bonds (distance) C4'-P energy: -54.213
bonds (distance) P-C4' energy: -43.441
flat angles C4'-P-C4' energy: -50.206
flat angles P-C4'-P energy: -39.524
tors. eta vs tors. theta energy: -63.031
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: 9
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -768.938587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.938587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.938587 (E_RNA)
where:
Base-Base interactions energy: -535.339
where: short stacking energy: -226.679
Base-Backbone interact. energy: -1.461
local terms energy: -232.138536
where:
bonds (distance) C4'-P energy: -47.632
bonds (distance) P-C4' energy: -52.444
flat angles C4'-P-C4' energy: -39.201
flat angles P-C4'-P energy: -44.025
tors. eta vs tors. theta energy: -48.837
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: 17
Temperature: 1.100000
Total energy: -762.398441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.398441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.398441 (E_RNA)
where:
Base-Base interactions energy: -520.752
where: short stacking energy: -223.734
Base-Backbone interact. energy: -1.314
local terms energy: -240.333390
where:
bonds (distance) C4'-P energy: -47.573
bonds (distance) P-C4' energy: -45.323
flat angles C4'-P-C4' energy: -52.506
flat angles P-C4'-P energy: -31.525
tors. eta vs tors. theta energy: -63.407
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: 6, replica: 7
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -697.020600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.020600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.020600 (E_RNA)
where:
Base-Base interactions energy: -471.353
where: short stacking energy: -201.377
Base-Backbone interact. energy: -1.063
local terms energy: -224.604754
where:
bonds (distance) C4'-P energy: -46.429
bonds (distance) P-C4' energy: -50.652
flat angles C4'-P-C4' energy: -42.633
flat angles P-C4'-P energy: -36.211
tors. eta vs tors. theta energy: -48.680
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: 3
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -733.134773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.134773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.134773 (E_RNA)
where:
Base-Base interactions energy: -495.785
where: short stacking energy: -198.570
Base-Backbone interact. energy: -1.260
local terms energy: -236.089674
where:
bonds (distance) C4'-P energy: -45.577
bonds (distance) P-C4' energy: -42.282
flat angles C4'-P-C4' energy: -52.274
flat angles P-C4'-P energy: -36.795
tors. eta vs tors. theta energy: -59.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -556.226681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.226681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.226681 (E_RNA)
where:
Base-Base interactions energy: -377.495
where: short stacking energy: -176.334
Base-Backbone interact. energy: -0.253
local terms energy: -178.478447
where:
bonds (distance) C4'-P energy: -40.318
bonds (distance) P-C4' energy: -42.909
flat angles C4'-P-C4' energy: -32.431
flat angles P-C4'-P energy: -28.510
tors. eta vs tors. theta energy: -34.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -570.699811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.699811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.699811 (E_RNA)
where:
Base-Base interactions energy: -397.242
where: short stacking energy: -172.733
Base-Backbone interact. energy: 0.349
local terms energy: -173.806823
where:
bonds (distance) C4'-P energy: -17.437
bonds (distance) P-C4' energy: -52.311
flat angles C4'-P-C4' energy: -41.986
flat angles P-C4'-P energy: -25.364
tors. eta vs tors. theta energy: -36.708
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: 10
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -214.732228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.732228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.732228 (E_RNA)
where:
Base-Base interactions energy: -76.743
where: short stacking energy: -68.759
Base-Backbone interact. energy: -0.436
local terms energy: -137.553112
where:
bonds (distance) C4'-P energy: -27.936
bonds (distance) P-C4' energy: -41.333
flat angles C4'-P-C4' energy: -47.361
flat angles P-C4'-P energy: -24.975
tors. eta vs tors. theta energy: 4.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -867.649421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.649421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.649421 (E_RNA)
where:
Base-Base interactions energy: -582.903
where: short stacking energy: -275.481
Base-Backbone interact. energy: -0.623
local terms energy: -284.123543
where:
bonds (distance) C4'-P energy: -45.577
bonds (distance) P-C4' energy: -58.916
flat angles C4'-P-C4' energy: -60.328
flat angles P-C4'-P energy: -43.261
tors. eta vs tors. theta energy: -76.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -897.571856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.571856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.571856 (E_RNA)
where:
Base-Base interactions energy: -610.514
where: short stacking energy: -264.535
Base-Backbone interact. energy: -1.784
local terms energy: -285.273983
where:
bonds (distance) C4'-P energy: -51.512
bonds (distance) P-C4' energy: -55.132
flat angles C4'-P-C4' energy: -62.896
flat angles P-C4'-P energy: -40.098
tors. eta vs tors. theta energy: -75.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -839.449177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.449177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.449177 (E_RNA)
where:
Base-Base interactions energy: -572.473
where: short stacking energy: -246.718
Base-Backbone interact. energy: 0.012
local terms energy: -266.988731
where:
bonds (distance) C4'-P energy: -49.439
bonds (distance) P-C4' energy: -55.700
flat angles C4'-P-C4' energy: -52.743
flat angles P-C4'-P energy: -42.052
tors. eta vs tors. theta energy: -67.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -763.931606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.931606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.931606 (E_RNA)
where:
Base-Base interactions energy: -534.661
where: short stacking energy: -231.025
Base-Backbone interact. energy: -0.780
local terms energy: -228.489819
where:
bonds (distance) C4'-P energy: -47.016
bonds (distance) P-C4' energy: -44.513
flat angles C4'-P-C4' energy: -51.728
flat angles P-C4'-P energy: -35.920
tors. eta vs tors. theta energy: -49.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -778.046227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.046227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.046227 (E_RNA)
where:
Base-Base interactions energy: -542.678
where: short stacking energy: -235.263
Base-Backbone interact. energy: -1.552
local terms energy: -233.816174
where:
bonds (distance) C4'-P energy: -46.963
bonds (distance) P-C4' energy: -38.618
flat angles C4'-P-C4' energy: -49.687
flat angles P-C4'-P energy: -39.227
tors. eta vs tors. theta energy: -59.320
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: 7
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -687.351940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.351940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.351940 (E_RNA)
where:
Base-Base interactions energy: -487.372
where: short stacking energy: -203.468
Base-Backbone interact. energy: -0.324
local terms energy: -199.656149
where:
bonds (distance) C4'-P energy: -31.285
bonds (distance) P-C4' energy: -50.128
flat angles C4'-P-C4' energy: -45.478
flat angles P-C4'-P energy: -19.659
tors. eta vs tors. theta energy: -53.106
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: 3
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -743.441073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.441073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.441073 (E_RNA)
where:
Base-Base interactions energy: -518.569
where: short stacking energy: -224.300
Base-Backbone interact. energy: -0.523
local terms energy: -224.349049
where:
bonds (distance) C4'-P energy: -42.479
bonds (distance) P-C4' energy: -44.377
flat angles C4'-P-C4' energy: -52.285
flat angles P-C4'-P energy: -27.046
tors. eta vs tors. theta energy: -58.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -565.220137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.220137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.220137 (E_RNA)
where:
Base-Base interactions energy: -374.794
where: short stacking energy: -162.761
Base-Backbone interact. energy: -1.507
local terms energy: -188.919046
where:
bonds (distance) C4'-P energy: -35.057
bonds (distance) P-C4' energy: -42.335
flat angles C4'-P-C4' energy: -45.715
flat angles P-C4'-P energy: -33.703
tors. eta vs tors. theta energy: -32.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -541.406011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.406011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.406011 (E_RNA)
where:
Base-Base interactions energy: -367.963
where: short stacking energy: -182.837
Base-Backbone interact. energy: -0.551
local terms energy: -172.891635
where:
bonds (distance) C4'-P energy: -33.867
bonds (distance) P-C4' energy: -40.437
flat angles C4'-P-C4' energy: -32.167
flat angles P-C4'-P energy: -24.074
tors. eta vs tors. theta energy: -42.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -246.079848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.079848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.079848 (E_RNA)
where:
Base-Base interactions energy: -106.883
where: short stacking energy: -69.180
Base-Backbone interact. energy: -1.034
local terms energy: -138.162415
where:
bonds (distance) C4'-P energy: -37.746
bonds (distance) P-C4' energy: -35.926
flat angles C4'-P-C4' energy: -46.461
flat angles P-C4'-P energy: -18.241
tors. eta vs tors. theta energy: 0.212
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: 1, replica: 2
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -881.611172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.611172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.611172 (E_RNA)
where:
Base-Base interactions energy: -613.024
where: short stacking energy: -265.579
Base-Backbone interact. energy: -2.081
local terms energy: -266.506074
where:
bonds (distance) C4'-P energy: -45.971
bonds (distance) P-C4' energy: -48.148
flat angles C4'-P-C4' energy: -62.688
flat angles P-C4'-P energy: -38.813
tors. eta vs tors. theta energy: -70.886
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: 2, replica: 5
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -858.455306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.455306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.455306 (E_RNA)
where:
Base-Base interactions energy: -603.165
where: short stacking energy: -259.722
Base-Backbone interact. energy: 0.273
local terms energy: -255.562780
where:
bonds (distance) C4'-P energy: -49.167
bonds (distance) P-C4' energy: -42.195
flat angles C4'-P-C4' energy: -62.612
flat angles P-C4'-P energy: -40.413
tors. eta vs tors. theta energy: -61.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -861.669973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.669973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.669973 (E_RNA)
where:
Base-Base interactions energy: -575.067
where: short stacking energy: -255.982
Base-Backbone interact. energy: -1.402
local terms energy: -285.201061
where:
bonds (distance) C4'-P energy: -54.135
bonds (distance) P-C4' energy: -53.225
flat angles C4'-P-C4' energy: -59.389
flat angles P-C4'-P energy: -44.987
tors. eta vs tors. theta energy: -73.465
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: 4, replica: 4
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -783.510856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.510856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.510856 (E_RNA)
where:
Base-Base interactions energy: -539.646
where: short stacking energy: -227.988
Base-Backbone interact. energy: 1.159
local terms energy: -245.023514
where:
bonds (distance) C4'-P energy: -52.215
bonds (distance) P-C4' energy: -47.855
flat angles C4'-P-C4' energy: -48.029
flat angles P-C4'-P energy: -32.897
tors. eta vs tors. theta energy: -64.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -751.101938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.101938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.101938 (E_RNA)
where:
Base-Base interactions energy: -522.128
where: short stacking energy: -222.236
Base-Backbone interact. energy: 1.419
local terms energy: -230.393102
where:
bonds (distance) C4'-P energy: -56.756
bonds (distance) P-C4' energy: -43.715
flat angles C4'-P-C4' energy: -44.247
flat angles P-C4'-P energy: -33.767
tors. eta vs tors. theta energy: -51.908
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: 19
Temperature: 1.150000
Total energy: -745.784091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.784091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.784091 (E_RNA)
where:
Base-Base interactions energy: -520.933
where: short stacking energy: -218.882
Base-Backbone interact. energy: -1.270
local terms energy: -223.580780
where:
bonds (distance) C4'-P energy: -44.010
bonds (distance) P-C4' energy: -40.884
flat angles C4'-P-C4' energy: -55.244
flat angles P-C4'-P energy: -23.731
tors. eta vs tors. theta energy: -59.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -658.688791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.688791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.688791 (E_RNA)
where:
Base-Base interactions energy: -446.991
where: short stacking energy: -188.588
Base-Backbone interact. energy: -0.597
local terms energy: -211.101097
where:
bonds (distance) C4'-P energy: -47.585
bonds (distance) P-C4' energy: -43.522
flat angles C4'-P-C4' energy: -47.580
flat angles P-C4'-P energy: -28.406
tors. eta vs tors. theta energy: -44.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -573.875841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.875841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.875841 (E_RNA)
where:
Base-Base interactions energy: -373.768
where: short stacking energy: -158.753
Base-Backbone interact. energy: -2.105
local terms energy: -198.002863
where:
bonds (distance) C4'-P energy: -45.153
bonds (distance) P-C4' energy: -41.114
flat angles C4'-P-C4' energy: -48.540
flat angles P-C4'-P energy: -28.997
tors. eta vs tors. theta energy: -34.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -511.415287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.415287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.415287 (E_RNA)
where:
Base-Base interactions energy: -312.191
where: short stacking energy: -161.871
Base-Backbone interact. energy: -0.190
local terms energy: -199.034126
where:
bonds (distance) C4'-P energy: -44.510
bonds (distance) P-C4' energy: -46.663
flat angles C4'-P-C4' energy: -48.749
flat angles P-C4'-P energy: -34.192
tors. eta vs tors. theta energy: -24.920
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: 10, replica: 10
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -317.838275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.838275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.838275 (E_RNA)
where:
Base-Base interactions energy: -165.133
where: short stacking energy: -94.150
Base-Backbone interact. energy: 0.080
local terms energy: -152.785771
where:
bonds (distance) C4'-P energy: -36.273
bonds (distance) P-C4' energy: -48.086
flat angles C4'-P-C4' energy: -35.443
flat angles P-C4'-P energy: -24.350
tors. eta vs tors. theta energy: -8.634
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: 1, replica: 2
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -894.346348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.346348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.346348 (E_RNA)
where:
Base-Base interactions energy: -612.310
where: short stacking energy: -269.050
Base-Backbone interact. energy: -0.650
local terms energy: -281.387142
where:
bonds (distance) C4'-P energy: -59.832
bonds (distance) P-C4' energy: -51.452
flat angles C4'-P-C4' energy: -59.879
flat angles P-C4'-P energy: -37.056
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: 2, replica: 5
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -885.309423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.309423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.309423 (E_RNA)
where:
Base-Base interactions energy: -618.033
where: short stacking energy: -270.806
Base-Backbone interact. energy: -0.921
local terms energy: -266.355037
where:
bonds (distance) C4'-P energy: -51.718
bonds (distance) P-C4' energy: -54.716
flat angles C4'-P-C4' energy: -60.588
flat angles P-C4'-P energy: -31.937
tors. eta vs tors. theta energy: -67.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -858.690110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.690110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.690110 (E_RNA)
where:
Base-Base interactions energy: -587.735
where: short stacking energy: -252.020
Base-Backbone interact. energy: -3.028
local terms energy: -267.927075
where:
bonds (distance) C4'-P energy: -50.684
bonds (distance) P-C4' energy: -51.172
flat angles C4'-P-C4' energy: -62.665
flat angles P-C4'-P energy: -29.778
tors. eta vs tors. theta energy: -73.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -819.752443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.752443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.752443 (E_RNA)
where:
Base-Base interactions energy: -561.725
where: short stacking energy: -235.241
Base-Backbone interact. energy: 1.015
local terms energy: -259.042347
where:
bonds (distance) C4'-P energy: -46.070
bonds (distance) P-C4' energy: -47.147
flat angles C4'-P-C4' energy: -56.995
flat angles P-C4'-P energy: -40.952
tors. eta vs tors. theta energy: -67.878
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: 9
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -742.694600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.694600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.694600 (E_RNA)
where:
Base-Base interactions energy: -497.727
where: short stacking energy: -225.623
Base-Backbone interact. energy: 0.482
local terms energy: -245.449463
where:
bonds (distance) C4'-P energy: -49.558
bonds (distance) P-C4' energy: -48.743
flat angles C4'-P-C4' energy: -51.526
flat angles P-C4'-P energy: -40.793
tors. eta vs tors. theta energy: -54.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -777.879024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.879024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.879024 (E_RNA)
where:
Base-Base interactions energy: -533.630
where: short stacking energy: -229.585
Base-Backbone interact. energy: -1.568
local terms energy: -242.681317
where:
bonds (distance) C4'-P energy: -49.930
bonds (distance) P-C4' energy: -45.271
flat angles C4'-P-C4' energy: -51.774
flat angles P-C4'-P energy: -36.578
tors. eta vs tors. theta energy: -59.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -679.577840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.577840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.577840 (E_RNA)
where:
Base-Base interactions energy: -468.272
where: short stacking energy: -209.587
Base-Backbone interact. energy: -1.509
local terms energy: -209.797062
where:
bonds (distance) C4'-P energy: -43.581
bonds (distance) P-C4' energy: -39.887
flat angles C4'-P-C4' energy: -51.270
flat angles P-C4'-P energy: -27.924
tors. eta vs tors. theta energy: -47.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -551.016118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.016118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.016118 (E_RNA)
where:
Base-Base interactions energy: -361.243
where: short stacking energy: -162.504
Base-Backbone interact. energy: 1.003
local terms energy: -190.776856
where:
bonds (distance) C4'-P energy: -35.582
bonds (distance) P-C4' energy: -51.174
flat angles C4'-P-C4' energy: -44.438
flat angles P-C4'-P energy: -29.701
tors. eta vs tors. theta energy: -29.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -499.862185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.862185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.862185 (E_RNA)
where:
Base-Base interactions energy: -310.927
where: short stacking energy: -124.640
Base-Backbone interact. energy: -1.229
local terms energy: -187.706865
where:
bonds (distance) C4'-P energy: -39.628
bonds (distance) P-C4' energy: -46.108
flat angles C4'-P-C4' energy: -45.327
flat angles P-C4'-P energy: -32.006
tors. eta vs tors. theta energy: -24.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -305.937247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.937247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.937247 (E_RNA)
where:
Base-Base interactions energy: -147.275
where: short stacking energy: -84.179
Base-Backbone interact. energy: 1.753
local terms energy: -160.415658
where:
bonds (distance) C4'-P energy: -54.837
bonds (distance) P-C4' energy: -53.992
flat angles C4'-P-C4' energy: -35.595
flat angles P-C4'-P energy: -20.326
tors. eta vs tors. theta energy: 4.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -903.911811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.911811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.911811 (E_RNA)
where:
Base-Base interactions energy: -617.670
where: short stacking energy: -263.327
Base-Backbone interact. energy: 0.433
local terms energy: -286.674201
where:
bonds (distance) C4'-P energy: -55.389
bonds (distance) P-C4' energy: -48.535
flat angles C4'-P-C4' energy: -64.376
flat angles P-C4'-P energy: -44.592
tors. eta vs tors. theta energy: -73.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -890.051175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.051175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.051175 (E_RNA)
where:
Base-Base interactions energy: -611.749
where: short stacking energy: -258.344
Base-Backbone interact. energy: 0.148
local terms energy: -278.450366
where:
bonds (distance) C4'-P energy: -54.985
bonds (distance) P-C4' energy: -49.972
flat angles C4'-P-C4' energy: -59.534
flat angles P-C4'-P energy: -39.603
tors. eta vs tors. theta energy: -74.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -856.257355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.257355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.257355 (E_RNA)
where:
Base-Base interactions energy: -586.830
where: short stacking energy: -254.612
Base-Backbone interact. energy: -1.206
local terms energy: -268.221775
where:
bonds (distance) C4'-P energy: -48.271
bonds (distance) P-C4' energy: -48.026
flat angles C4'-P-C4' energy: -54.749
flat angles P-C4'-P energy: -44.530
tors. eta vs tors. theta energy: -72.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -805.008489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.008489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.008489 (E_RNA)
where:
Base-Base interactions energy: -551.707
where: short stacking energy: -224.199
Base-Backbone interact. energy: -1.101
local terms energy: -252.200527
where:
bonds (distance) C4'-P energy: -48.428
bonds (distance) P-C4' energy: -60.442
flat angles C4'-P-C4' energy: -51.307
flat angles P-C4'-P energy: -32.800
tors. eta vs tors. theta energy: -59.223
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: 9
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -765.521358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.521358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.521358 (E_RNA)
where:
Base-Base interactions energy: -522.155
where: short stacking energy: -227.295
Base-Backbone interact. energy: -0.581
local terms energy: -242.785119
where:
bonds (distance) C4'-P energy: -52.096
bonds (distance) P-C4' energy: -46.492
flat angles C4'-P-C4' energy: -48.294
flat angles P-C4'-P energy: -33.095
tors. eta vs tors. theta energy: -62.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -716.879422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.879422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.879422 (E_RNA)
where:
Base-Base interactions energy: -483.793
where: short stacking energy: -220.887
Base-Backbone interact. energy: -0.108
local terms energy: -232.977999
where:
bonds (distance) C4'-P energy: -38.755
bonds (distance) P-C4' energy: -41.217
flat angles C4'-P-C4' energy: -49.746
flat angles P-C4'-P energy: -41.885
tors. eta vs tors. theta energy: -61.376
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: 3
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -727.092541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.092541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.092541 (E_RNA)
where:
Base-Base interactions energy: -494.873
where: short stacking energy: -210.139
Base-Backbone interact. energy: -0.936
local terms energy: -231.282946
where:
bonds (distance) C4'-P energy: -44.915
bonds (distance) P-C4' energy: -50.587
flat angles C4'-P-C4' energy: -51.207
flat angles P-C4'-P energy: -32.219
tors. eta vs tors. theta energy: -52.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -559.995178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.995178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.995178 (E_RNA)
where:
Base-Base interactions energy: -364.421
where: short stacking energy: -178.741
Base-Backbone interact. energy: -0.536
local terms energy: -195.038277
where:
bonds (distance) C4'-P energy: -36.864
bonds (distance) P-C4' energy: -44.949
flat angles C4'-P-C4' energy: -46.565
flat angles P-C4'-P energy: -29.878
tors. eta vs tors. theta energy: -36.783
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: 9, replica: 6
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -551.617311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.617311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.617311 (E_RNA)
where:
Base-Base interactions energy: -362.372
where: short stacking energy: -159.807
Base-Backbone interact. energy: -0.576
local terms energy: -188.669381
where:
bonds (distance) C4'-P energy: -35.815
bonds (distance) P-C4' energy: -49.563
flat angles C4'-P-C4' energy: -34.320
flat angles P-C4'-P energy: -30.830
tors. eta vs tors. theta energy: -38.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -313.448201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.448201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.448201 (E_RNA)
where:
Base-Base interactions energy: -139.984
where: short stacking energy: -82.635
Base-Backbone interact. energy: -0.701
local terms energy: -172.763941
where:
bonds (distance) C4'-P energy: -58.856
bonds (distance) P-C4' energy: -51.949
flat angles C4'-P-C4' energy: -44.913
flat angles P-C4'-P energy: -21.209
tors. eta vs tors. theta energy: 4.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -903.661675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.661675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.661675 (E_RNA)
where:
Base-Base interactions energy: -618.944
where: short stacking energy: -285.049
Base-Backbone interact. energy: -0.959
local terms energy: -283.759089
where:
bonds (distance) C4'-P energy: -52.628
bonds (distance) P-C4' energy: -50.451
flat angles C4'-P-C4' energy: -62.706
flat angles P-C4'-P energy: -41.253
tors. eta vs tors. theta energy: -76.721
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: 2, replica: 2
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -849.113954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.113954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.113954 (E_RNA)
where:
Base-Base interactions energy: -578.708
where: short stacking energy: -239.231
Base-Backbone interact. energy: -1.649
local terms energy: -268.757707
where:
bonds (distance) C4'-P energy: -51.706
bonds (distance) P-C4' energy: -48.921
flat angles C4'-P-C4' energy: -62.334
flat angles P-C4'-P energy: -39.701
tors. eta vs tors. theta energy: -66.097
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: 1
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -849.411518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.411518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.411518 (E_RNA)
where:
Base-Base interactions energy: -591.047
where: short stacking energy: -241.012
Base-Backbone interact. energy: -1.082
local terms energy: -257.282007
where:
bonds (distance) C4'-P energy: -47.371
bonds (distance) P-C4' energy: -49.304
flat angles C4'-P-C4' energy: -58.847
flat angles P-C4'-P energy: -41.228
tors. eta vs tors. theta energy: -60.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -795.964268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.964268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.964268 (E_RNA)
where:
Base-Base interactions energy: -554.843
where: short stacking energy: -226.479
Base-Backbone interact. energy: -1.826
local terms energy: -239.295438
where:
bonds (distance) C4'-P energy: -53.372
bonds (distance) P-C4' energy: -50.015
flat angles C4'-P-C4' energy: -45.513
flat angles P-C4'-P energy: -32.388
tors. eta vs tors. theta energy: -58.007
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: 5, replica: 9
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -737.777157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.777157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.777157 (E_RNA)
where:
Base-Base interactions energy: -503.252
where: short stacking energy: -213.168
Base-Backbone interact. energy: 1.347
local terms energy: -235.872941
where:
bonds (distance) C4'-P energy: -43.800
bonds (distance) P-C4' energy: -51.165
flat angles C4'-P-C4' energy: -61.391
flat angles P-C4'-P energy: -28.732
tors. eta vs tors. theta energy: -50.786
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: 7
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -660.225781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.225781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.225781 (E_RNA)
where:
Base-Base interactions energy: -428.998
where: short stacking energy: -193.001
Base-Backbone interact. energy: -1.782
local terms energy: -229.446264
where:
bonds (distance) C4'-P energy: -46.728
bonds (distance) P-C4' energy: -43.355
flat angles C4'-P-C4' energy: -50.644
flat angles P-C4'-P energy: -34.958
tors. eta vs tors. theta energy: -53.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -727.668958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.668958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.668958 (E_RNA)
where:
Base-Base interactions energy: -501.145
where: short stacking energy: -211.166
Base-Backbone interact. energy: 1.472
local terms energy: -227.996674
where:
bonds (distance) C4'-P energy: -41.736
bonds (distance) P-C4' energy: -46.120
flat angles C4'-P-C4' energy: -57.021
flat angles P-C4'-P energy: -35.595
tors. eta vs tors. theta energy: -47.524
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: 8
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -603.645961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.645961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.645961 (E_RNA)
where:
Base-Base interactions energy: -373.753
where: short stacking energy: -177.682
Base-Backbone interact. energy: -2.133
local terms energy: -227.759893
where:
bonds (distance) C4'-P energy: -45.656
bonds (distance) P-C4' energy: -55.684
flat angles C4'-P-C4' energy: -52.520
flat angles P-C4'-P energy: -31.479
tors. eta vs tors. theta energy: -42.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -563.493910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.493910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.493910 (E_RNA)
where:
Base-Base interactions energy: -372.128
where: short stacking energy: -150.039
Base-Backbone interact. energy: 1.181
local terms energy: -192.546485
where:
bonds (distance) C4'-P energy: -42.806
bonds (distance) P-C4' energy: -50.815
flat angles C4'-P-C4' energy: -34.777
flat angles P-C4'-P energy: -34.893
tors. eta vs tors. theta energy: -29.256
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: 10
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -265.799768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.799768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.799768 (E_RNA)
where:
Base-Base interactions energy: -126.401
where: short stacking energy: -64.825
Base-Backbone interact. energy: -0.194
local terms energy: -139.205290
where:
bonds (distance) C4'-P energy: -45.471
bonds (distance) P-C4' energy: -43.992
flat angles C4'-P-C4' energy: -28.720
flat angles P-C4'-P energy: -16.215
tors. eta vs tors. theta energy: -4.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -905.687090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.687090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.687090 (E_RNA)
where:
Base-Base interactions energy: -623.532
where: short stacking energy: -281.105
Base-Backbone interact. energy: -0.698
local terms energy: -281.457256
where:
bonds (distance) C4'-P energy: -54.069
bonds (distance) P-C4' energy: -56.405
flat angles C4'-P-C4' energy: -58.696
flat angles P-C4'-P energy: -43.880
tors. eta vs tors. theta energy: -68.408
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: 2, replica: 2
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -872.135592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.135592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.135592 (E_RNA)
where:
Base-Base interactions energy: -604.501
where: short stacking energy: -269.456
Base-Backbone interact. energy: 0.036
local terms energy: -267.671098
where:
bonds (distance) C4'-P energy: -39.562
bonds (distance) P-C4' energy: -52.976
flat angles C4'-P-C4' energy: -57.788
flat angles P-C4'-P energy: -43.997
tors. eta vs tors. theta energy: -73.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -845.570504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.570504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.570504 (E_RNA)
where:
Base-Base interactions energy: -589.581
where: short stacking energy: -254.247
Base-Backbone interact. energy: 0.619
local terms energy: -256.608362
where:
bonds (distance) C4'-P energy: -42.603
bonds (distance) P-C4' energy: -55.606
flat angles C4'-P-C4' energy: -53.456
flat angles P-C4'-P energy: -38.091
tors. eta vs tors. theta energy: -66.853
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: 4
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -786.991677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.991677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.991677 (E_RNA)
where:
Base-Base interactions energy: -530.742
where: short stacking energy: -231.769
Base-Backbone interact. energy: -2.870
local terms energy: -253.379782
where:
bonds (distance) C4'-P energy: -47.918
bonds (distance) P-C4' energy: -52.348
flat angles C4'-P-C4' energy: -57.295
flat angles P-C4'-P energy: -34.008
tors. eta vs tors. theta energy: -61.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -754.309553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.309553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.309553 (E_RNA)
where:
Base-Base interactions energy: -518.355
where: short stacking energy: -221.453
Base-Backbone interact. energy: -2.748
local terms energy: -233.206732
where:
bonds (distance) C4'-P energy: -36.630
bonds (distance) P-C4' energy: -53.323
flat angles C4'-P-C4' energy: -50.472
flat angles P-C4'-P energy: -38.095
tors. eta vs tors. theta energy: -54.687
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: 6, replica: 3
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -727.423640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.423640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.423640 (E_RNA)
where:
Base-Base interactions energy: -497.927
where: short stacking energy: -196.718
Base-Backbone interact. energy: -1.229
local terms energy: -228.267486
where:
bonds (distance) C4'-P energy: -50.595
bonds (distance) P-C4' energy: -38.538
flat angles C4'-P-C4' energy: -52.562
flat angles P-C4'-P energy: -30.938
tors. eta vs tors. theta energy: -55.636
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: 7
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -631.611033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.611033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.611033 (E_RNA)
where:
Base-Base interactions energy: -422.109
where: short stacking energy: -183.777
Base-Backbone interact. energy: 0.789
local terms energy: -210.290876
where:
bonds (distance) C4'-P energy: -42.996
bonds (distance) P-C4' energy: -48.512
flat angles C4'-P-C4' energy: -45.749
flat angles P-C4'-P energy: -21.227
tors. eta vs tors. theta energy: -51.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -552.396152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.396152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.396152 (E_RNA)
where:
Base-Base interactions energy: -361.570
where: short stacking energy: -167.109
Base-Backbone interact. energy: -2.712
local terms energy: -188.113912
where:
bonds (distance) C4'-P energy: -43.056
bonds (distance) P-C4' energy: -34.184
flat angles C4'-P-C4' energy: -51.477
flat angles P-C4'-P energy: -30.168
tors. eta vs tors. theta energy: -29.230
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: 8
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -512.978201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.978201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.978201 (E_RNA)
where:
Base-Base interactions energy: -320.618
where: short stacking energy: -154.939
Base-Backbone interact. energy: -1.494
local terms energy: -190.865864
where:
bonds (distance) C4'-P energy: -42.097
bonds (distance) P-C4' energy: -48.017
flat angles C4'-P-C4' energy: -49.051
flat angles P-C4'-P energy: -21.862
tors. eta vs tors. theta energy: -29.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -222.509154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.509154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.509154 (E_RNA)
where:
Base-Base interactions energy: -84.785
where: short stacking energy: -66.078
Base-Backbone interact. energy: -0.904
local terms energy: -136.820855
where:
bonds (distance) C4'-P energy: -41.960
bonds (distance) P-C4' energy: -38.287
flat angles C4'-P-C4' energy: -34.900
flat angles P-C4'-P energy: -25.912
tors. eta vs tors. theta energy: 4.237
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: 5
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -908.251305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.251305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.251305 (E_RNA)
where:
Base-Base interactions energy: -629.261
where: short stacking energy: -275.554
Base-Backbone interact. energy: 0.042
local terms energy: -279.031516
where:
bonds (distance) C4'-P energy: -50.303
bonds (distance) P-C4' energy: -51.624
flat angles C4'-P-C4' energy: -60.305
flat angles P-C4'-P energy: -40.819
tors. eta vs tors. theta energy: -75.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -861.077481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.077481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.077481 (E_RNA)
where:
Base-Base interactions energy: -583.201
where: short stacking energy: -249.332
Base-Backbone interact. energy: -0.290
local terms energy: -277.586447
where:
bonds (distance) C4'-P energy: -55.507
bonds (distance) P-C4' energy: -60.301
flat angles C4'-P-C4' energy: -48.257
flat angles P-C4'-P energy: -49.604
tors. eta vs tors. theta energy: -63.917
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: 4
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -815.220951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.220951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.220951 (E_RNA)
where:
Base-Base interactions energy: -570.454
where: short stacking energy: -237.322
Base-Backbone interact. energy: -1.330
local terms energy: -243.437298
where:
bonds (distance) C4'-P energy: -41.983
bonds (distance) P-C4' energy: -51.834
flat angles C4'-P-C4' energy: -58.523
flat angles P-C4'-P energy: -32.773
tors. eta vs tors. theta energy: -58.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -803.504950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.504950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.504950 (E_RNA)
where:
Base-Base interactions energy: -557.578
where: short stacking energy: -243.294
Base-Backbone interact. energy: -1.017
local terms energy: -244.910670
where:
bonds (distance) C4'-P energy: -45.810
bonds (distance) P-C4' energy: -47.197
flat angles C4'-P-C4' energy: -56.265
flat angles P-C4'-P energy: -36.646
tors. eta vs tors. theta energy: -58.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -778.403145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.403145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.403145 (E_RNA)
where:
Base-Base interactions energy: -547.797
where: short stacking energy: -233.100
Base-Backbone interact. energy: 1.404
local terms energy: -232.010355
where:
bonds (distance) C4'-P energy: -38.838
bonds (distance) P-C4' energy: -49.732
flat angles C4'-P-C4' energy: -48.575
flat angles P-C4'-P energy: -36.243
tors. eta vs tors. theta energy: -58.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -720.201169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.201169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.201169 (E_RNA)
where:
Base-Base interactions energy: -475.626
where: short stacking energy: -201.820
Base-Backbone interact. energy: -0.552
local terms energy: -244.022945
where:
bonds (distance) C4'-P energy: -42.387
bonds (distance) P-C4' energy: -59.815
flat angles C4'-P-C4' energy: -56.294
flat angles P-C4'-P energy: -33.344
tors. eta vs tors. theta energy: -52.184
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: 24
Temperature: 1.200000
Total energy: -670.947164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.947164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.947164 (E_RNA)
where:
Base-Base interactions energy: -448.886
where: short stacking energy: -196.077
Base-Backbone interact. energy: -2.402
local terms energy: -219.659416
where:
bonds (distance) C4'-P energy: -48.971
bonds (distance) P-C4' energy: -46.530
flat angles C4'-P-C4' energy: -46.887
flat angles P-C4'-P energy: -26.825
tors. eta vs tors. theta energy: -50.446
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: 6
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -581.397279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.397279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.397279 (E_RNA)
where:
Base-Base interactions energy: -390.716
where: short stacking energy: -179.862
Base-Backbone interact. energy: -0.236
local terms energy: -190.445136
where:
bonds (distance) C4'-P energy: -37.911
bonds (distance) P-C4' energy: -42.183
flat angles C4'-P-C4' energy: -43.246
flat angles P-C4'-P energy: -30.298
tors. eta vs tors. theta energy: -36.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -536.710677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.710677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.710677 (E_RNA)
where:
Base-Base interactions energy: -340.855
where: short stacking energy: -149.807
Base-Backbone interact. energy: 0.916
local terms energy: -196.772076
where:
bonds (distance) C4'-P energy: -51.020
bonds (distance) P-C4' energy: -47.585
flat angles C4'-P-C4' energy: -43.098
flat angles P-C4'-P energy: -21.141
tors. eta vs tors. theta energy: -33.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -267.218542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.218542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.218542 (E_RNA)
where:
Base-Base interactions energy: -121.201
where: short stacking energy: -65.922
Base-Backbone interact. energy: -1.124
local terms energy: -144.893915
where:
bonds (distance) C4'-P energy: -38.358
bonds (distance) P-C4' energy: -52.065
flat angles C4'-P-C4' energy: -32.090
flat angles P-C4'-P energy: -23.542
tors. eta vs tors. theta energy: 1.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -911.390310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.390310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.390310 (E_RNA)
where:
Base-Base interactions energy: -629.954
where: short stacking energy: -265.456
Base-Backbone interact. energy: -1.962
local terms energy: -279.474123
where:
bonds (distance) C4'-P energy: -52.739
bonds (distance) P-C4' energy: -53.674
flat angles C4'-P-C4' energy: -59.791
flat angles P-C4'-P energy: -40.433
tors. eta vs tors. theta energy: -72.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -851.586502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.586502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.586502 (E_RNA)
where:
Base-Base interactions energy: -585.334
where: short stacking energy: -253.089
Base-Backbone interact. energy: -0.418
local terms energy: -265.834337
where:
bonds (distance) C4'-P energy: -51.389
bonds (distance) P-C4' energy: -41.227
flat angles C4'-P-C4' energy: -62.969
flat angles P-C4'-P energy: -40.764
tors. eta vs tors. theta energy: -69.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -846.974084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.974084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.974084 (E_RNA)
where:
Base-Base interactions energy: -581.595
where: short stacking energy: -240.623
Base-Backbone interact. energy: -0.757
local terms energy: -264.622659
where:
bonds (distance) C4'-P energy: -57.314
bonds (distance) P-C4' energy: -46.471
flat angles C4'-P-C4' energy: -56.595
flat angles P-C4'-P energy: -40.490
tors. eta vs tors. theta energy: -63.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -825.061594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.061594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.061594 (E_RNA)
where:
Base-Base interactions energy: -569.556
where: short stacking energy: -228.071
Base-Backbone interact. energy: -1.143
local terms energy: -254.361717
where:
bonds (distance) C4'-P energy: -42.959
bonds (distance) P-C4' energy: -54.418
flat angles C4'-P-C4' energy: -57.959
flat angles P-C4'-P energy: -33.300
tors. eta vs tors. theta energy: -65.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -768.740015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.740015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.740015 (E_RNA)
where:
Base-Base interactions energy: -511.734
where: short stacking energy: -227.074
Base-Backbone interact. energy: -1.178
local terms energy: -255.828187
where:
bonds (distance) C4'-P energy: -49.557
bonds (distance) P-C4' energy: -51.601
flat angles C4'-P-C4' energy: -54.377
flat angles P-C4'-P energy: -43.851
tors. eta vs tors. theta energy: -56.442
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: 7
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -703.374724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.374724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.374724 (E_RNA)
where:
Base-Base interactions energy: -469.923
where: short stacking energy: -194.828
Base-Backbone interact. energy: -3.226
local terms energy: -230.226203
where:
bonds (distance) C4'-P energy: -45.659
bonds (distance) P-C4' energy: -50.282
flat angles C4'-P-C4' energy: -60.556
flat angles P-C4'-P energy: -26.553
tors. eta vs tors. theta energy: -47.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -667.726111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.726111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.726111 (E_RNA)
where:
Base-Base interactions energy: -444.844
where: short stacking energy: -201.955
Base-Backbone interact. energy: -0.916
local terms energy: -221.965828
where:
bonds (distance) C4'-P energy: -45.513
bonds (distance) P-C4' energy: -58.843
flat angles C4'-P-C4' energy: -41.414
flat angles P-C4'-P energy: -24.567
tors. eta vs tors. theta energy: -51.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -577.102189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.102189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.102189 (E_RNA)
where:
Base-Base interactions energy: -395.331
where: short stacking energy: -170.019
Base-Backbone interact. energy: -0.970
local terms energy: -180.801360
where:
bonds (distance) C4'-P energy: -30.723
bonds (distance) P-C4' energy: -37.918
flat angles C4'-P-C4' energy: -46.736
flat angles P-C4'-P energy: -30.794
tors. eta vs tors. theta energy: -34.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -537.938609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.938609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.938609 (E_RNA)
where:
Base-Base interactions energy: -344.105
where: short stacking energy: -151.120
Base-Backbone interact. energy: 0.987
local terms energy: -194.820626
where:
bonds (distance) C4'-P energy: -45.412
bonds (distance) P-C4' energy: -48.967
flat angles C4'-P-C4' energy: -41.505
flat angles P-C4'-P energy: -25.601
tors. eta vs tors. theta energy: -33.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -232.651667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.651667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.651667 (E_RNA)
where:
Base-Base interactions energy: -89.586
where: short stacking energy: -76.796
Base-Backbone interact. energy: 1.781
local terms energy: -144.846688
where:
bonds (distance) C4'-P energy: -48.986
bonds (distance) P-C4' energy: -46.699
flat angles C4'-P-C4' energy: -40.287
flat angles P-C4'-P energy: -20.552
tors. eta vs tors. theta energy: 11.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -926.586391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.586391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.586391 (E_RNA)
where:
Base-Base interactions energy: -638.003
where: short stacking energy: -276.026
Base-Backbone interact. energy: 0.043
local terms energy: -288.625908
where:
bonds (distance) C4'-P energy: -59.278
bonds (distance) P-C4' energy: -54.408
flat angles C4'-P-C4' energy: -61.223
flat angles P-C4'-P energy: -39.603
tors. eta vs tors. theta energy: -74.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -856.006045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.006045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.006045 (E_RNA)
where:
Base-Base interactions energy: -589.646
where: short stacking energy: -252.469
Base-Backbone interact. energy: 1.412
local terms energy: -267.772656
where:
bonds (distance) C4'-P energy: -48.769
bonds (distance) P-C4' energy: -52.012
flat angles C4'-P-C4' energy: -62.835
flat angles P-C4'-P energy: -35.355
tors. eta vs tors. theta energy: -68.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -854.435695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.435695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.435695 (E_RNA)
where:
Base-Base interactions energy: -605.285
where: short stacking energy: -253.376
Base-Backbone interact. energy: -1.087
local terms energy: -248.064056
where:
bonds (distance) C4'-P energy: -48.283
bonds (distance) P-C4' energy: -41.706
flat angles C4'-P-C4' energy: -54.590
flat angles P-C4'-P energy: -37.841
tors. eta vs tors. theta energy: -65.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -830.513674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.513674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.513674 (E_RNA)
where:
Base-Base interactions energy: -577.222
where: short stacking energy: -245.411
Base-Backbone interact. energy: -1.714
local terms energy: -251.577498
where:
bonds (distance) C4'-P energy: -49.110
bonds (distance) P-C4' energy: -48.002
flat angles C4'-P-C4' energy: -54.429
flat angles P-C4'-P energy: -34.535
tors. eta vs tors. theta energy: -65.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -760.888498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.888498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.888498 (E_RNA)
where:
Base-Base interactions energy: -513.605
where: short stacking energy: -209.863
Base-Backbone interact. energy: 0.349
local terms energy: -247.632508
where:
bonds (distance) C4'-P energy: -47.921
bonds (distance) P-C4' energy: -54.345
flat angles C4'-P-C4' energy: -48.902
flat angles P-C4'-P energy: -41.268
tors. eta vs tors. theta energy: -55.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -688.050858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.050858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.050858 (E_RNA)
where:
Base-Base interactions energy: -460.455
where: short stacking energy: -186.465
Base-Backbone interact. energy: -0.652
local terms energy: -226.944232
where:
bonds (distance) C4'-P energy: -46.708
bonds (distance) P-C4' energy: -51.573
flat angles C4'-P-C4' energy: -51.089
flat angles P-C4'-P energy: -27.500
tors. eta vs tors. theta energy: -50.074
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: 26
Temperature: 1.200000
Total energy: -677.107647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.107647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.107647 (E_RNA)
where:
Base-Base interactions energy: -456.980
where: short stacking energy: -192.411
Base-Backbone interact. energy: 2.091
local terms energy: -222.219505
where:
bonds (distance) C4'-P energy: -39.658
bonds (distance) P-C4' energy: -46.645
flat angles C4'-P-C4' energy: -55.075
flat angles P-C4'-P energy: -32.360
tors. eta vs tors. theta energy: -48.481
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: 8, replica: 6
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -537.438027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.438027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.438027 (E_RNA)
where:
Base-Base interactions energy: -359.303
where: short stacking energy: -147.687
Base-Backbone interact. energy: -0.473
local terms energy: -177.662481
where:
bonds (distance) C4'-P energy: -41.352
bonds (distance) P-C4' energy: -44.545
flat angles C4'-P-C4' energy: -41.953
flat angles P-C4'-P energy: -35.409
tors. eta vs tors. theta energy: -14.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -557.620800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.620800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.620800 (E_RNA)
where:
Base-Base interactions energy: -369.664
where: short stacking energy: -170.335
Base-Backbone interact. energy: -0.793
local terms energy: -187.164335
where:
bonds (distance) C4'-P energy: -37.761
bonds (distance) P-C4' energy: -38.574
flat angles C4'-P-C4' energy: -51.160
flat angles P-C4'-P energy: -20.852
tors. eta vs tors. theta energy: -38.818
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: 10
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -230.438025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.438025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.438025 (E_RNA)
where:
Base-Base interactions energy: -93.107
where: short stacking energy: -56.633
Base-Backbone interact. energy: -2.215
local terms energy: -135.116205
where:
bonds (distance) C4'-P energy: -40.804
bonds (distance) P-C4' energy: -42.366
flat angles C4'-P-C4' energy: -38.867
flat angles P-C4'-P energy: -14.127
tors. eta vs tors. theta energy: 1.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -911.116708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.116708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.116708 (E_RNA)
where:
Base-Base interactions energy: -633.503
where: short stacking energy: -282.240
Base-Backbone interact. energy: -2.838
local terms energy: -274.775898
where:
bonds (distance) C4'-P energy: -47.568
bonds (distance) P-C4' energy: -54.176
flat angles C4'-P-C4' energy: -57.382
flat angles P-C4'-P energy: -40.353
tors. eta vs tors. theta energy: -75.297
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: 1
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -887.534966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.534966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.534966 (E_RNA)
where:
Base-Base interactions energy: -617.601
where: short stacking energy: -255.163
Base-Backbone interact. energy: -0.580
local terms energy: -269.354310
where:
bonds (distance) C4'-P energy: -50.517
bonds (distance) P-C4' energy: -56.546
flat angles C4'-P-C4' energy: -52.593
flat angles P-C4'-P energy: -37.902
tors. eta vs tors. theta energy: -71.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -832.482776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.482776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.482776 (E_RNA)
where:
Base-Base interactions energy: -589.710
where: short stacking energy: -258.887
Base-Backbone interact. energy: -1.083
local terms energy: -241.689904
where:
bonds (distance) C4'-P energy: -42.449
bonds (distance) P-C4' energy: -41.910
flat angles C4'-P-C4' energy: -56.757
flat angles P-C4'-P energy: -37.494
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: 4, replica: 3
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -806.165197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.165197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.165197 (E_RNA)
where:
Base-Base interactions energy: -546.525
where: short stacking energy: -240.115
Base-Backbone interact. energy: -1.177
local terms energy: -258.463150
where:
bonds (distance) C4'-P energy: -46.272
bonds (distance) P-C4' energy: -57.475
flat angles C4'-P-C4' energy: -53.319
flat angles P-C4'-P energy: -28.841
tors. eta vs tors. theta energy: -72.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -798.413163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.413163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.413163 (E_RNA)
where:
Base-Base interactions energy: -551.726
where: short stacking energy: -228.881
Base-Backbone interact. energy: -0.066
local terms energy: -246.621557
where:
bonds (distance) C4'-P energy: -47.748
bonds (distance) P-C4' energy: -48.467
flat angles C4'-P-C4' energy: -57.849
flat angles P-C4'-P energy: -30.595
tors. eta vs tors. theta energy: -61.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -714.702707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.702707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.702707 (E_RNA)
where:
Base-Base interactions energy: -501.258
where: short stacking energy: -214.697
Base-Backbone interact. energy: 1.095
local terms energy: -214.540424
where:
bonds (distance) C4'-P energy: -50.437
bonds (distance) P-C4' energy: -40.703
flat angles C4'-P-C4' energy: -50.057
flat angles P-C4'-P energy: -22.916
tors. eta vs tors. theta energy: -50.427
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: 9
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -689.892464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.892464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.892464 (E_RNA)
where:
Base-Base interactions energy: -484.042
where: short stacking energy: -208.556
Base-Backbone interact. energy: -0.004
local terms energy: -205.846996
where:
bonds (distance) C4'-P energy: -37.479
bonds (distance) P-C4' energy: -49.769
flat angles C4'-P-C4' energy: -43.090
flat angles P-C4'-P energy: -30.412
tors. eta vs tors. theta energy: -45.097
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: 8, replica: 6
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -597.250878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.250878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.250878 (E_RNA)
where:
Base-Base interactions energy: -388.660
where: short stacking energy: -176.766
Base-Backbone interact. energy: 0.605
local terms energy: -209.196693
where:
bonds (distance) C4'-P energy: -42.638
bonds (distance) P-C4' energy: -41.180
flat angles C4'-P-C4' energy: -48.000
flat angles P-C4'-P energy: -37.053
tors. eta vs tors. theta energy: -40.327
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: 8
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -484.772356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.772356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.772356 (E_RNA)
where:
Base-Base interactions energy: -296.363
where: short stacking energy: -136.711
Base-Backbone interact. energy: -0.540
local terms energy: -187.868802
where:
bonds (distance) C4'-P energy: -39.778
bonds (distance) P-C4' energy: -50.096
flat angles C4'-P-C4' energy: -35.923
flat angles P-C4'-P energy: -38.686
tors. eta vs tors. theta energy: -23.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -233.434876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.434876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.434876 (E_RNA)
where:
Base-Base interactions energy: -64.010
where: short stacking energy: -59.134
Base-Backbone interact. energy: -1.655
local terms energy: -167.770257
where:
bonds (distance) C4'-P energy: -51.290
bonds (distance) P-C4' energy: -42.311
flat angles C4'-P-C4' energy: -50.065
flat angles P-C4'-P energy: -32.727
tors. eta vs tors. theta energy: 8.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -915.837290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.837290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.837290 (E_RNA)
where:
Base-Base interactions energy: -633.548
where: short stacking energy: -279.900
Base-Backbone interact. energy: -0.440
local terms energy: -281.849896
where:
bonds (distance) C4'-P energy: -51.846
bonds (distance) P-C4' energy: -52.918
flat angles C4'-P-C4' energy: -58.504
flat angles P-C4'-P energy: -39.576
tors. eta vs tors. theta energy: -79.005
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: 1
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -886.235085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.235085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.235085 (E_RNA)
where:
Base-Base interactions energy: -617.074
where: short stacking energy: -265.359
Base-Backbone interact. energy: 0.018
local terms energy: -269.178629
where:
bonds (distance) C4'-P energy: -51.523
bonds (distance) P-C4' energy: -47.404
flat angles C4'-P-C4' energy: -63.500
flat angles P-C4'-P energy: -39.049
tors. eta vs tors. theta energy: -67.702
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: 4
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -831.554255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.554255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.554255 (E_RNA)
where:
Base-Base interactions energy: -569.784
where: short stacking energy: -252.039
Base-Backbone interact. energy: -0.487
local terms energy: -261.282945
where:
bonds (distance) C4'-P energy: -44.585
bonds (distance) P-C4' energy: -53.247
flat angles C4'-P-C4' energy: -53.904
flat angles P-C4'-P energy: -38.667
tors. eta vs tors. theta energy: -70.880
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: 3
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -809.365075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.365075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.365075 (E_RNA)
where:
Base-Base interactions energy: -551.147
where: short stacking energy: -247.910
Base-Backbone interact. energy: 0.367
local terms energy: -258.585042
where:
bonds (distance) C4'-P energy: -44.085
bonds (distance) P-C4' energy: -54.069
flat angles C4'-P-C4' energy: -60.642
flat angles P-C4'-P energy: -33.279
tors. eta vs tors. theta energy: -66.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -838.766319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.766319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.766319 (E_RNA)
where:
Base-Base interactions energy: -585.373
where: short stacking energy: -267.512
Base-Backbone interact. energy: 2.293
local terms energy: -255.685936
where:
bonds (distance) C4'-P energy: -45.623
bonds (distance) P-C4' energy: -42.158
flat angles C4'-P-C4' energy: -59.216
flat angles P-C4'-P energy: -33.813
tors. eta vs tors. theta energy: -74.877
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: 6, replica: 7
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -720.877542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.877542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.877542 (E_RNA)
where:
Base-Base interactions energy: -504.072
where: short stacking energy: -218.431
Base-Backbone interact. energy: -1.683
local terms energy: -215.123466
where:
bonds (distance) C4'-P energy: -32.396
bonds (distance) P-C4' energy: -46.365
flat angles C4'-P-C4' energy: -52.424
flat angles P-C4'-P energy: -34.647
tors. eta vs tors. theta energy: -49.292
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: 7, replica: 6
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -588.548922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.548922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.548922 (E_RNA)
where:
Base-Base interactions energy: -376.921
where: short stacking energy: -160.126
Base-Backbone interact. energy: -0.736
local terms energy: -210.891814
where:
bonds (distance) C4'-P energy: -54.224
bonds (distance) P-C4' energy: -38.633
flat angles C4'-P-C4' energy: -49.514
flat angles P-C4'-P energy: -30.018
tors. eta vs tors. theta energy: -38.502
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: 9
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -625.079936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.079936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.079936 (E_RNA)
where:
Base-Base interactions energy: -411.243
where: short stacking energy: -169.012
Base-Backbone interact. energy: -1.343
local terms energy: -212.493647
where:
bonds (distance) C4'-P energy: -44.645
bonds (distance) P-C4' energy: -47.274
flat angles C4'-P-C4' energy: -49.248
flat angles P-C4'-P energy: -31.219
tors. eta vs tors. theta energy: -40.108
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: 8
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -419.686907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.686907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.686907 (E_RNA)
where:
Base-Base interactions energy: -239.547
where: short stacking energy: -119.136
Base-Backbone interact. energy: 0.258
local terms energy: -180.397630
where:
bonds (distance) C4'-P energy: -44.843
bonds (distance) P-C4' energy: -51.173
flat angles C4'-P-C4' energy: -36.297
flat angles P-C4'-P energy: -29.756
tors. eta vs tors. theta energy: -18.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -215.303099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.303099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.303099 (E_RNA)
where:
Base-Base interactions energy: -80.109
where: short stacking energy: -69.609
Base-Backbone interact. energy: -0.521
local terms energy: -134.672958
where:
bonds (distance) C4'-P energy: -33.612
bonds (distance) P-C4' energy: -36.396
flat angles C4'-P-C4' energy: -46.992
flat angles P-C4'-P energy: -18.454
tors. eta vs tors. theta energy: 0.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -910.222454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.222454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.222454 (E_RNA)
where:
Base-Base interactions energy: -626.857
where: short stacking energy: -262.320
Base-Backbone interact. energy: -2.110
local terms energy: -281.255357
where:
bonds (distance) C4'-P energy: -56.158
bonds (distance) P-C4' energy: -53.655
flat angles C4'-P-C4' energy: -59.712
flat angles P-C4'-P energy: -38.417
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: 2, replica: 1
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -894.740948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.740948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.740948 (E_RNA)
where:
Base-Base interactions energy: -605.878
where: short stacking energy: -249.237
Base-Backbone interact. energy: -0.997
local terms energy: -287.865412
where:
bonds (distance) C4'-P energy: -57.794
bonds (distance) P-C4' energy: -54.475
flat angles C4'-P-C4' energy: -59.891
flat angles P-C4'-P energy: -42.574
tors. eta vs tors. theta energy: -73.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -834.293630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.293630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.293630 (E_RNA)
where:
Base-Base interactions energy: -572.455
where: short stacking energy: -245.999
Base-Backbone interact. energy: -0.715
local terms energy: -261.123108
where:
bonds (distance) C4'-P energy: -37.820
bonds (distance) P-C4' energy: -59.700
flat angles C4'-P-C4' energy: -60.215
flat angles P-C4'-P energy: -42.191
tors. eta vs tors. theta energy: -61.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -853.968163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.968163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.968163 (E_RNA)
where:
Base-Base interactions energy: -600.452
where: short stacking energy: -265.968
Base-Backbone interact. energy: -0.264
local terms energy: -253.251574
where:
bonds (distance) C4'-P energy: -47.073
bonds (distance) P-C4' energy: -42.055
flat angles C4'-P-C4' energy: -59.273
flat angles P-C4'-P energy: -36.312
tors. eta vs tors. theta energy: -68.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -777.660800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.660800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.660800 (E_RNA)
where:
Base-Base interactions energy: -536.468
where: short stacking energy: -226.004
Base-Backbone interact. energy: -1.370
local terms energy: -239.823261
where:
bonds (distance) C4'-P energy: -48.173
bonds (distance) P-C4' energy: -36.322
flat angles C4'-P-C4' energy: -56.274
flat angles P-C4'-P energy: -41.829
tors. eta vs tors. theta energy: -57.225
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: 6, replica: 6
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -607.448538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.448538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.448538 (E_RNA)
where:
Base-Base interactions energy: -382.514
where: short stacking energy: -178.749
Base-Backbone interact. energy: -0.030
local terms energy: -224.904752
where:
bonds (distance) C4'-P energy: -52.519
bonds (distance) P-C4' energy: -58.188
flat angles C4'-P-C4' energy: -58.067
flat angles P-C4'-P energy: -17.253
tors. eta vs tors. theta energy: -38.878
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: 7
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -641.352815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.352815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.352815 (E_RNA)
where:
Base-Base interactions energy: -418.126
where: short stacking energy: -165.864
Base-Backbone interact. energy: -0.885
local terms energy: -222.341104
where:
bonds (distance) C4'-P energy: -51.691
bonds (distance) P-C4' energy: -45.608
flat angles C4'-P-C4' energy: -56.549
flat angles P-C4'-P energy: -34.254
tors. eta vs tors. theta energy: -34.238
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: 9
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -625.515047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.515047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.515047 (E_RNA)
where:
Base-Base interactions energy: -419.173
where: short stacking energy: -154.231
Base-Backbone interact. energy: -0.579
local terms energy: -205.763534
where:
bonds (distance) C4'-P energy: -38.815
bonds (distance) P-C4' energy: -51.440
flat angles C4'-P-C4' energy: -51.055
flat angles P-C4'-P energy: -26.377
tors. eta vs tors. theta energy: -38.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -438.104810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.104810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.104810 (E_RNA)
where:
Base-Base interactions energy: -248.563
where: short stacking energy: -120.264
Base-Backbone interact. energy: -1.579
local terms energy: -187.963179
where:
bonds (distance) C4'-P energy: -47.911
bonds (distance) P-C4' energy: -46.087
flat angles C4'-P-C4' energy: -51.728
flat angles P-C4'-P energy: -27.180
tors. eta vs tors. theta energy: -15.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -242.807373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.807373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.807373 (E_RNA)
where:
Base-Base interactions energy: -93.730
where: short stacking energy: -85.979
Base-Backbone interact. energy: -1.163
local terms energy: -147.913740
where:
bonds (distance) C4'-P energy: -46.073
bonds (distance) P-C4' energy: -38.574
flat angles C4'-P-C4' energy: -46.718
flat angles P-C4'-P energy: -12.184
tors. eta vs tors. theta energy: -4.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -936.644190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.644190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.644190 (E_RNA)
where:
Base-Base interactions energy: -666.416
where: short stacking energy: -278.687
Base-Backbone interact. energy: -0.357
local terms energy: -269.870495
where:
bonds (distance) C4'-P energy: -44.450
bonds (distance) P-C4' energy: -52.694
flat angles C4'-P-C4' energy: -57.940
flat angles P-C4'-P energy: -40.196
tors. eta vs tors. theta energy: -74.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -898.468729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.468729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.468729 (E_RNA)
where:
Base-Base interactions energy: -628.005
where: short stacking energy: -261.809
Base-Backbone interact. energy: -2.398
local terms energy: -268.065799
where:
bonds (distance) C4'-P energy: -45.870
bonds (distance) P-C4' energy: -47.842
flat angles C4'-P-C4' energy: -62.433
flat angles P-C4'-P energy: -36.021
tors. eta vs tors. theta energy: -75.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -850.016871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.016871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.016871 (E_RNA)
where:
Base-Base interactions energy: -577.745
where: short stacking energy: -249.990
Base-Backbone interact. energy: -2.484
local terms energy: -269.787866
where:
bonds (distance) C4'-P energy: -42.679
bonds (distance) P-C4' energy: -60.245
flat angles C4'-P-C4' energy: -62.320
flat angles P-C4'-P energy: -40.231
tors. eta vs tors. theta energy: -64.313
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: 30
Temperature: 1.050000
Total energy: -813.280349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.280349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.280349 (E_RNA)
where:
Base-Base interactions energy: -571.336
where: short stacking energy: -244.992
Base-Backbone interact. energy: 0.030
local terms energy: -241.974870
where:
bonds (distance) C4'-P energy: -42.762
bonds (distance) P-C4' energy: -50.756
flat angles C4'-P-C4' energy: -49.058
flat angles P-C4'-P energy: -34.239
tors. eta vs tors. theta energy: -65.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -780.639299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.639299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.639299 (E_RNA)
where:
Base-Base interactions energy: -547.871
where: short stacking energy: -226.732
Base-Backbone interact. energy: -0.662
local terms energy: -232.106248
where:
bonds (distance) C4'-P energy: -32.792
bonds (distance) P-C4' energy: -52.052
flat angles C4'-P-C4' energy: -54.392
flat angles P-C4'-P energy: -37.399
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: 6, replica: 6
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -634.948251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.948251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.948251 (E_RNA)
where:
Base-Base interactions energy: -426.290
where: short stacking energy: -175.297
Base-Backbone interact. energy: -1.746
local terms energy: -206.911770
where:
bonds (distance) C4'-P energy: -40.957
bonds (distance) P-C4' energy: -42.660
flat angles C4'-P-C4' energy: -48.126
flat angles P-C4'-P energy: -33.599
tors. eta vs tors. theta energy: -41.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -630.956719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.956719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.956719 (E_RNA)
where:
Base-Base interactions energy: -423.469
where: short stacking energy: -169.593
Base-Backbone interact. energy: 0.108
local terms energy: -207.595904
where:
bonds (distance) C4'-P energy: -52.457
bonds (distance) P-C4' energy: -43.719
flat angles C4'-P-C4' energy: -41.736
flat angles P-C4'-P energy: -30.626
tors. eta vs tors. theta energy: -39.059
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: 8, replica: 7
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -641.830920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.830920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.830920 (E_RNA)
where:
Base-Base interactions energy: -432.103
where: short stacking energy: -194.402
Base-Backbone interact. energy: 3.259
local terms energy: -212.987142
where:
bonds (distance) C4'-P energy: -45.238
bonds (distance) P-C4' energy: -38.398
flat angles C4'-P-C4' energy: -47.617
flat angles P-C4'-P energy: -33.757
tors. eta vs tors. theta energy: -47.976
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: 9, replica: 8
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -411.664004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.664004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.664004 (E_RNA)
where:
Base-Base interactions energy: -259.137
where: short stacking energy: -122.787
Base-Backbone interact. energy: -1.002
local terms energy: -151.525726
where:
bonds (distance) C4'-P energy: -41.462
bonds (distance) P-C4' energy: -32.142
flat angles C4'-P-C4' energy: -41.134
flat angles P-C4'-P energy: -24.634
tors. eta vs tors. theta energy: -12.154
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: 10
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -220.538469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.538469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.538469 (E_RNA)
where:
Base-Base interactions energy: -68.733
where: short stacking energy: -49.965
Base-Backbone interact. energy: -0.269
local terms energy: -151.536500
where:
bonds (distance) C4'-P energy: -44.876
bonds (distance) P-C4' energy: -47.326
flat angles C4'-P-C4' energy: -39.516
flat angles P-C4'-P energy: -21.153
tors. eta vs tors. theta energy: 1.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -938.049497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.049497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.049497 (E_RNA)
where:
Base-Base interactions energy: -655.406
where: short stacking energy: -288.173
Base-Backbone interact. energy: -1.164
local terms energy: -281.479761
where:
bonds (distance) C4'-P energy: -41.909
bonds (distance) P-C4' energy: -55.526
flat angles C4'-P-C4' energy: -60.510
flat angles P-C4'-P energy: -43.657
tors. eta vs tors. theta energy: -79.879
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: 2, replica: 1
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -894.537977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.537977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.537977 (E_RNA)
where:
Base-Base interactions energy: -610.948
where: short stacking energy: -260.299
Base-Backbone interact. energy: -2.707
local terms energy: -280.883012
where:
bonds (distance) C4'-P energy: -48.012
bonds (distance) P-C4' energy: -54.861
flat angles C4'-P-C4' energy: -60.097
flat angles P-C4'-P energy: -39.953
tors. eta vs tors. theta energy: -77.959
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: 3, replica: 4
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -824.497838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.497838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.497838 (E_RNA)
where:
Base-Base interactions energy: -549.780
where: short stacking energy: -243.839
Base-Backbone interact. energy: -1.925
local terms energy: -272.793472
where:
bonds (distance) C4'-P energy: -48.453
bonds (distance) P-C4' energy: -55.845
flat angles C4'-P-C4' energy: -57.997
flat angles P-C4'-P energy: -37.423
tors. eta vs tors. theta energy: -73.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -807.991321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.991321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.991321 (E_RNA)
where:
Base-Base interactions energy: -552.407
where: short stacking energy: -250.364
Base-Backbone interact. energy: -2.408
local terms energy: -253.177122
where:
bonds (distance) C4'-P energy: -48.523
bonds (distance) P-C4' energy: -43.771
flat angles C4'-P-C4' energy: -57.951
flat angles P-C4'-P energy: -33.511
tors. eta vs tors. theta energy: -69.421
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: 2
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -814.831070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.831070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.831070 (E_RNA)
where:
Base-Base interactions energy: -551.830
where: short stacking energy: -245.384
Base-Backbone interact. energy: -1.856
local terms energy: -261.144982
where:
bonds (distance) C4'-P energy: -47.739
bonds (distance) P-C4' energy: -53.462
flat angles C4'-P-C4' energy: -56.080
flat angles P-C4'-P energy: -35.939
tors. eta vs tors. theta energy: -67.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -641.383513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.383513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.383513 (E_RNA)
where:
Base-Base interactions energy: -418.696
where: short stacking energy: -188.415
Base-Backbone interact. energy: -0.831
local terms energy: -221.856953
where:
bonds (distance) C4'-P energy: -55.251
bonds (distance) P-C4' energy: -39.586
flat angles C4'-P-C4' energy: -43.806
flat angles P-C4'-P energy: -39.258
tors. eta vs tors. theta energy: -43.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -631.052453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.052453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.052453 (E_RNA)
where:
Base-Base interactions energy: -419.464
where: short stacking energy: -179.517
Base-Backbone interact. energy: -0.406
local terms energy: -211.183071
where:
bonds (distance) C4'-P energy: -38.652
bonds (distance) P-C4' energy: -50.991
flat angles C4'-P-C4' energy: -50.058
flat angles P-C4'-P energy: -34.851
tors. eta vs tors. theta energy: -36.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -606.948548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.948548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.948548 (E_RNA)
where:
Base-Base interactions energy: -411.926
where: short stacking energy: -167.262
Base-Backbone interact. energy: -1.421
local terms energy: -193.601550
where:
bonds (distance) C4'-P energy: -48.759
bonds (distance) P-C4' energy: -53.154
flat angles C4'-P-C4' energy: -33.635
flat angles P-C4'-P energy: -24.271
tors. eta vs tors. theta energy: -33.783
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: 9, replica: 8
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -394.531082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.531082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.531082 (E_RNA)
where:
Base-Base interactions energy: -223.184
where: short stacking energy: -93.129
Base-Backbone interact. energy: -0.972
local terms energy: -170.374979
where:
bonds (distance) C4'-P energy: -47.739
bonds (distance) P-C4' energy: -41.564
flat angles C4'-P-C4' energy: -38.578
flat angles P-C4'-P energy: -36.556
tors. eta vs tors. theta energy: -5.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -216.907285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.907285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.907285 (E_RNA)
where:
Base-Base interactions energy: -69.361
where: short stacking energy: -44.629
Base-Backbone interact. energy: 4.131
local terms energy: -151.677336
where:
bonds (distance) C4'-P energy: -55.091
bonds (distance) P-C4' energy: -43.627
flat angles C4'-P-C4' energy: -40.202
flat angles P-C4'-P energy: -29.164
tors. eta vs tors. theta energy: 16.406
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: 1
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -898.116746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.116746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.116746 (E_RNA)
where:
Base-Base interactions energy: -615.152
where: short stacking energy: -266.394
Base-Backbone interact. energy: -0.570
local terms energy: -282.394049
where:
bonds (distance) C4'-P energy: -52.689
bonds (distance) P-C4' energy: -56.005
flat angles C4'-P-C4' energy: -63.294
flat angles P-C4'-P energy: -34.198
tors. eta vs tors. theta energy: -76.208
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: 32
Temperature: 0.950000
Total energy: -911.407665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.407665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.407665 (E_RNA)
where:
Base-Base interactions energy: -631.206
where: short stacking energy: -280.695
Base-Backbone interact. energy: -1.984
local terms energy: -278.217418
where:
bonds (distance) C4'-P energy: -48.188
bonds (distance) P-C4' energy: -50.007
flat angles C4'-P-C4' energy: -60.055
flat angles P-C4'-P energy: -40.966
tors. eta vs tors. theta energy: -79.001
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: 3, replica: 4
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -845.751525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.751525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.751525 (E_RNA)
where:
Base-Base interactions energy: -581.238
where: short stacking energy: -255.635
Base-Backbone interact. energy: 0.186
local terms energy: -264.700289
where:
bonds (distance) C4'-P energy: -43.666
bonds (distance) P-C4' energy: -54.485
flat angles C4'-P-C4' energy: -53.037
flat angles P-C4'-P energy: -41.247
tors. eta vs tors. theta energy: -72.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -808.741201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.741201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.741201 (E_RNA)
where:
Base-Base interactions energy: -565.443
where: short stacking energy: -223.208
Base-Backbone interact. energy: 3.303
local terms energy: -246.601277
where:
bonds (distance) C4'-P energy: -46.274
bonds (distance) P-C4' energy: -44.440
flat angles C4'-P-C4' energy: -51.762
flat angles P-C4'-P energy: -44.350
tors. eta vs tors. theta energy: -59.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -823.612900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.612900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.612900 (E_RNA)
where:
Base-Base interactions energy: -559.764
where: short stacking energy: -246.155
Base-Backbone interact. energy: -0.864
local terms energy: -262.984481
where:
bonds (distance) C4'-P energy: -43.429
bonds (distance) P-C4' energy: -50.870
flat angles C4'-P-C4' energy: -53.758
flat angles P-C4'-P energy: -43.055
tors. eta vs tors. theta energy: -71.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -637.676592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.676592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.676592 (E_RNA)
where:
Base-Base interactions energy: -437.301
where: short stacking energy: -200.793
Base-Backbone interact. energy: -1.128
local terms energy: -199.247788
where:
bonds (distance) C4'-P energy: -36.544
bonds (distance) P-C4' energy: -42.711
flat angles C4'-P-C4' energy: -46.817
flat angles P-C4'-P energy: -28.625
tors. eta vs tors. theta energy: -44.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -652.126556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.126556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.126556 (E_RNA)
where:
Base-Base interactions energy: -417.278
where: short stacking energy: -188.901
Base-Backbone interact. energy: -0.304
local terms energy: -234.544267
where:
bonds (distance) C4'-P energy: -49.417
bonds (distance) P-C4' energy: -51.724
flat angles C4'-P-C4' energy: -51.729
flat angles P-C4'-P energy: -34.202
tors. eta vs tors. theta energy: -47.471
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: 7
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -611.638717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.638717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.638717 (E_RNA)
where:
Base-Base interactions energy: -434.225
where: short stacking energy: -179.155
Base-Backbone interact. energy: 1.465
local terms energy: -178.878243
where:
bonds (distance) C4'-P energy: -24.149
bonds (distance) P-C4' energy: -49.069
flat angles C4'-P-C4' energy: -45.321
flat angles P-C4'-P energy: -22.528
tors. eta vs tors. theta energy: -37.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -419.612795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.612795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.612795 (E_RNA)
where:
Base-Base interactions energy: -244.848
where: short stacking energy: -133.736
Base-Backbone interact. energy: 0.551
local terms energy: -175.316168
where:
bonds (distance) C4'-P energy: -35.376
bonds (distance) P-C4' energy: -43.034
flat angles C4'-P-C4' energy: -45.839
flat angles P-C4'-P energy: -21.446
tors. eta vs tors. theta energy: -29.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -209.395545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.395545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.395545 (E_RNA)
where:
Base-Base interactions energy: -59.598
where: short stacking energy: -59.376
Base-Backbone interact. energy: 0.451
local terms energy: -150.249125
where:
bonds (distance) C4'-P energy: -43.774
bonds (distance) P-C4' energy: -48.836
flat angles C4'-P-C4' energy: -43.260
flat angles P-C4'-P energy: -25.728
tors. eta vs tors. theta energy: 11.348
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: 1
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -897.824720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.824720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.824720 (E_RNA)
where:
Base-Base interactions energy: -622.248
where: short stacking energy: -271.822
Base-Backbone interact. energy: -0.198
local terms energy: -275.378994
where:
bonds (distance) C4'-P energy: -53.963
bonds (distance) P-C4' energy: -51.746
flat angles C4'-P-C4' energy: -54.117
flat angles P-C4'-P energy: -39.362
tors. eta vs tors. theta energy: -76.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -895.530724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.530724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.530724 (E_RNA)
where:
Base-Base interactions energy: -627.258
where: short stacking energy: -265.300
Base-Backbone interact. energy: 3.259
local terms energy: -271.531827
where:
bonds (distance) C4'-P energy: -47.212
bonds (distance) P-C4' energy: -51.513
flat angles C4'-P-C4' energy: -55.664
flat angles P-C4'-P energy: -42.158
tors. eta vs tors. theta energy: -74.985
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: 33
Temperature: 1.000000
Total energy: -826.473164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.473164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.473164 (E_RNA)
where:
Base-Base interactions energy: -573.448
where: short stacking energy: -251.567
Base-Backbone interact. energy: 0.252
local terms energy: -253.277339
where:
bonds (distance) C4'-P energy: -48.072
bonds (distance) P-C4' energy: -54.797
flat angles C4'-P-C4' energy: -50.102
flat angles P-C4'-P energy: -40.111
tors. eta vs tors. theta energy: -60.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -836.857850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.857850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.857850 (E_RNA)
where:
Base-Base interactions energy: -577.645
where: short stacking energy: -231.851
Base-Backbone interact. energy: -1.604
local terms energy: -257.609093
where:
bonds (distance) C4'-P energy: -38.653
bonds (distance) P-C4' energy: -53.500
flat angles C4'-P-C4' energy: -56.369
flat angles P-C4'-P energy: -42.558
tors. eta vs tors. theta energy: -66.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -813.238995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.238995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.238995 (E_RNA)
where:
Base-Base interactions energy: -551.192
where: short stacking energy: -254.916
Base-Backbone interact. energy: -1.980
local terms energy: -260.066135
where:
bonds (distance) C4'-P energy: -44.338
bonds (distance) P-C4' energy: -55.471
flat angles C4'-P-C4' energy: -49.648
flat angles P-C4'-P energy: -40.951
tors. eta vs tors. theta energy: -69.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -619.539735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.539735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.539735 (E_RNA)
where:
Base-Base interactions energy: -400.868
where: short stacking energy: -165.242
Base-Backbone interact. energy: -0.080
local terms energy: -218.591928
where:
bonds (distance) C4'-P energy: -40.511
bonds (distance) P-C4' energy: -57.912
flat angles C4'-P-C4' energy: -51.155
flat angles P-C4'-P energy: -37.843
tors. eta vs tors. theta energy: -31.171
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: 9
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -604.645751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.645751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.645751 (E_RNA)
where:
Base-Base interactions energy: -393.786
where: short stacking energy: -169.067
Base-Backbone interact. energy: -0.971
local terms energy: -209.888750
where:
bonds (distance) C4'-P energy: -46.527
bonds (distance) P-C4' energy: -43.118
flat angles C4'-P-C4' energy: -46.259
flat angles P-C4'-P energy: -43.499
tors. eta vs tors. theta energy: -30.486
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: 7
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -564.481657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.481657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.481657 (E_RNA)
where:
Base-Base interactions energy: -364.363
where: short stacking energy: -154.094
Base-Backbone interact. energy: -1.852
local terms energy: -198.267279
where:
bonds (distance) C4'-P energy: -43.792
bonds (distance) P-C4' energy: -50.474
flat angles C4'-P-C4' energy: -47.015
flat angles P-C4'-P energy: -25.260
tors. eta vs tors. theta energy: -31.727
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: 8
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -438.181837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.181837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.181837 (E_RNA)
where:
Base-Base interactions energy: -246.905
where: short stacking energy: -130.091
Base-Backbone interact. energy: -1.343
local terms energy: -189.934065
where:
bonds (distance) C4'-P energy: -49.401
bonds (distance) P-C4' energy: -52.589
flat angles C4'-P-C4' energy: -41.530
flat angles P-C4'-P energy: -30.440
tors. eta vs tors. theta energy: -15.975
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: 10
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -235.140495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.140495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.140495 (E_RNA)
where:
Base-Base interactions energy: -95.476
where: short stacking energy: -86.560
Base-Backbone interact. energy: 1.404
local terms energy: -141.068928
where:
bonds (distance) C4'-P energy: -45.472
bonds (distance) P-C4' energy: -34.765
flat angles C4'-P-C4' energy: -41.677
flat angles P-C4'-P energy: -16.818
tors. eta vs tors. theta energy: -2.337
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: 1, replica: 1
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -906.020306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.020306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.020306 (E_RNA)
where:
Base-Base interactions energy: -620.010
where: short stacking energy: -257.249
Base-Backbone interact. energy: 0.150
local terms energy: -286.160419
where:
bonds (distance) C4'-P energy: -51.764
bonds (distance) P-C4' energy: -58.356
flat angles C4'-P-C4' energy: -60.933
flat angles P-C4'-P energy: -37.473
tors. eta vs tors. theta energy: -77.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -909.281631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.281631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.281631 (E_RNA)
where:
Base-Base interactions energy: -629.069
where: short stacking energy: -270.296
Base-Backbone interact. energy: 0.867
local terms energy: -281.079317
where:
bonds (distance) C4'-P energy: -47.523
bonds (distance) P-C4' energy: -53.497
flat angles C4'-P-C4' energy: -63.602
flat angles P-C4'-P energy: -43.095
tors. eta vs tors. theta energy: -73.361
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: 3, replica: 4
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -833.524810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.524810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.524810 (E_RNA)
where:
Base-Base interactions energy: -572.157
where: short stacking energy: -247.961
Base-Backbone interact. energy: 0.527
local terms energy: -261.894694
where:
bonds (distance) C4'-P energy: -47.546
bonds (distance) P-C4' energy: -53.059
flat angles C4'-P-C4' energy: -55.778
flat angles P-C4'-P energy: -41.401
tors. eta vs tors. theta energy: -64.112
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: 4, replica: 3
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -798.882467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.882467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.882467 (E_RNA)
where:
Base-Base interactions energy: -542.080
where: short stacking energy: -219.406
Base-Backbone interact. energy: -1.026
local terms energy: -255.776358
where:
bonds (distance) C4'-P energy: -52.031
bonds (distance) P-C4' energy: -60.202
flat angles C4'-P-C4' energy: -54.586
flat angles P-C4'-P energy: -35.630
tors. eta vs tors. theta energy: -53.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -815.416820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.416820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.416820 (E_RNA)
where:
Base-Base interactions energy: -566.969
where: short stacking energy: -236.881
Base-Backbone interact. energy: 0.755
local terms energy: -249.202808
where:
bonds (distance) C4'-P energy: -53.626
bonds (distance) P-C4' energy: -51.542
flat angles C4'-P-C4' energy: -51.961
flat angles P-C4'-P energy: -26.353
tors. eta vs tors. theta energy: -65.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -635.127918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.127918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.127918 (E_RNA)
where:
Base-Base interactions energy: -409.560
where: short stacking energy: -195.862
Base-Backbone interact. energy: 0.832
local terms energy: -226.399494
where:
bonds (distance) C4'-P energy: -53.362
bonds (distance) P-C4' energy: -45.481
flat angles C4'-P-C4' energy: -50.586
flat angles P-C4'-P energy: -30.541
tors. eta vs tors. theta energy: -46.429
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: 7
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -638.514668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.514668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.514668 (E_RNA)
where:
Base-Base interactions energy: -443.562
where: short stacking energy: -200.466
Base-Backbone interact. energy: -2.502
local terms energy: -192.450494
where:
bonds (distance) C4'-P energy: -39.091
bonds (distance) P-C4' energy: -47.724
flat angles C4'-P-C4' energy: -46.211
flat angles P-C4'-P energy: -25.105
tors. eta vs tors. theta energy: -34.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -601.632524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.632524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.632524 (E_RNA)
where:
Base-Base interactions energy: -397.213
where: short stacking energy: -177.924
Base-Backbone interact. energy: -1.215
local terms energy: -203.204595
where:
bonds (distance) C4'-P energy: -42.155
bonds (distance) P-C4' energy: -46.707
flat angles C4'-P-C4' energy: -52.340
flat angles P-C4'-P energy: -24.971
tors. eta vs tors. theta energy: -37.032
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: 9, replica: 8
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -434.904522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.904522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.904522 (E_RNA)
where:
Base-Base interactions energy: -254.864
where: short stacking energy: -113.395
Base-Backbone interact. energy: -4.418
local terms energy: -175.622385
where:
bonds (distance) C4'-P energy: -36.227
bonds (distance) P-C4' energy: -45.631
flat angles C4'-P-C4' energy: -47.274
flat angles P-C4'-P energy: -31.704
tors. eta vs tors. theta energy: -14.786
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: 10
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -244.965447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.965447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.965447 (E_RNA)
where:
Base-Base interactions energy: -96.356
where: short stacking energy: -75.748
Base-Backbone interact. energy: 1.983
local terms energy: -150.592134
where:
bonds (distance) C4'-P energy: -44.558
bonds (distance) P-C4' energy: -41.598
flat angles C4'-P-C4' energy: -38.806
flat angles P-C4'-P energy: -17.342
tors. eta vs tors. theta energy: -8.288
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: 1, replica: 1
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -901.246922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.246922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.246922 (E_RNA)
where:
Base-Base interactions energy: -622.595
where: short stacking energy: -265.313
Base-Backbone interact. energy: -0.712
local terms energy: -277.939359
where:
bonds (distance) C4'-P energy: -51.157
bonds (distance) P-C4' energy: -57.702
flat angles C4'-P-C4' energy: -51.739
flat angles P-C4'-P energy: -37.756
tors. eta vs tors. theta energy: -79.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -901.691453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.691453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.691453 (E_RNA)
where:
Base-Base interactions energy: -616.994
where: short stacking energy: -260.762
Base-Backbone interact. energy: -0.562
local terms energy: -284.135508
where:
bonds (distance) C4'-P energy: -50.800
bonds (distance) P-C4' energy: -55.636
flat angles C4'-P-C4' energy: -59.171
flat angles P-C4'-P energy: -46.417
tors. eta vs tors. theta energy: -72.112
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: 35
Temperature: 1.000000
Total energy: -829.946501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.946501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.946501 (E_RNA)
where:
Base-Base interactions energy: -577.886
where: short stacking energy: -248.647
Base-Backbone interact. energy: 2.879
local terms energy: -254.940337
where:
bonds (distance) C4'-P energy: -42.072
bonds (distance) P-C4' energy: -57.640
flat angles C4'-P-C4' energy: -56.697
flat angles P-C4'-P energy: -36.630
tors. eta vs tors. theta energy: -61.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -809.047504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.047504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.047504 (E_RNA)
where:
Base-Base interactions energy: -572.184
where: short stacking energy: -249.660
Base-Backbone interact. energy: 1.362
local terms energy: -238.226418
where:
bonds (distance) C4'-P energy: -44.799
bonds (distance) P-C4' energy: -50.383
flat angles C4'-P-C4' energy: -52.087
flat angles P-C4'-P energy: -31.369
tors. eta vs tors. theta energy: -59.588
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: 5, replica: 2
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -805.030893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.030893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.030893 (E_RNA)
where:
Base-Base interactions energy: -559.152
where: short stacking energy: -223.704
Base-Backbone interact. energy: -1.201
local terms energy: -244.677606
where:
bonds (distance) C4'-P energy: -52.852
bonds (distance) P-C4' energy: -52.560
flat angles C4'-P-C4' energy: -43.939
flat angles P-C4'-P energy: -35.585
tors. eta vs tors. theta energy: -59.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -685.152517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.152517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.152517 (E_RNA)
where:
Base-Base interactions energy: -461.773
where: short stacking energy: -197.027
Base-Backbone interact. energy: -1.437
local terms energy: -221.942578
where:
bonds (distance) C4'-P energy: -52.396
bonds (distance) P-C4' energy: -41.937
flat angles C4'-P-C4' energy: -49.330
flat angles P-C4'-P energy: -28.104
tors. eta vs tors. theta energy: -50.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -643.400086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.400086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.400086 (E_RNA)
where:
Base-Base interactions energy: -444.776
where: short stacking energy: -177.874
Base-Backbone interact. energy: -0.977
local terms energy: -197.646953
where:
bonds (distance) C4'-P energy: -46.447
bonds (distance) P-C4' energy: -39.858
flat angles C4'-P-C4' energy: -37.759
flat angles P-C4'-P energy: -29.902
tors. eta vs tors. theta energy: -43.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -573.177411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.177411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.177411 (E_RNA)
where:
Base-Base interactions energy: -381.019
where: short stacking energy: -168.127
Base-Backbone interact. energy: 4.138
local terms energy: -196.296897
where:
bonds (distance) C4'-P energy: -48.132
bonds (distance) P-C4' energy: -36.264
flat angles C4'-P-C4' energy: -48.507
flat angles P-C4'-P energy: -29.945
tors. eta vs tors. theta energy: -33.449
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: 8
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -440.312105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.312105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.312105 (E_RNA)
where:
Base-Base interactions energy: -257.325
where: short stacking energy: -112.614
Base-Backbone interact. energy: -1.310
local terms energy: -181.676889
where:
bonds (distance) C4'-P energy: -45.568
bonds (distance) P-C4' energy: -44.363
flat angles C4'-P-C4' energy: -44.732
flat angles P-C4'-P energy: -25.851
tors. eta vs tors. theta energy: -21.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -227.559059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.559059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.559059 (E_RNA)
where:
Base-Base interactions energy: -62.980
where: short stacking energy: -54.107
Base-Backbone interact. energy: -0.155
local terms energy: -164.423706
where:
bonds (distance) C4'-P energy: -34.370
bonds (distance) P-C4' energy: -57.190
flat angles C4'-P-C4' energy: -49.719
flat angles P-C4'-P energy: -26.159
tors. eta vs tors. theta energy: 3.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -940.371757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.371757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.371757 (E_RNA)
where:
Base-Base interactions energy: -643.277
where: short stacking energy: -289.089
Base-Backbone interact. energy: -1.776
local terms energy: -295.318575
where:
bonds (distance) C4'-P energy: -52.129
bonds (distance) P-C4' energy: -55.795
flat angles C4'-P-C4' energy: -58.135
flat angles P-C4'-P energy: -47.813
tors. eta vs tors. theta energy: -81.447
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: 1
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -901.287692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.287692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.287692 (E_RNA)
where:
Base-Base interactions energy: -635.714
where: short stacking energy: -277.145
Base-Backbone interact. energy: -3.112
local terms energy: -262.461802
where:
bonds (distance) C4'-P energy: -41.441
bonds (distance) P-C4' energy: -42.434
flat angles C4'-P-C4' energy: -57.269
flat angles P-C4'-P energy: -41.457
tors. eta vs tors. theta energy: -79.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -851.239162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.239162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.239162 (E_RNA)
where:
Base-Base interactions energy: -579.230
where: short stacking energy: -258.965
Base-Backbone interact. energy: -0.085
local terms energy: -271.924039
where:
bonds (distance) C4'-P energy: -47.301
bonds (distance) P-C4' energy: -55.646
flat angles C4'-P-C4' energy: -62.688
flat angles P-C4'-P energy: -40.579
tors. eta vs tors. theta energy: -65.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -799.837315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.837315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.837315 (E_RNA)
where:
Base-Base interactions energy: -573.154
where: short stacking energy: -235.988
Base-Backbone interact. energy: 2.761
local terms energy: -229.443542
where:
bonds (distance) C4'-P energy: -42.552
bonds (distance) P-C4' energy: -44.817
flat angles C4'-P-C4' energy: -55.671
flat angles P-C4'-P energy: -28.035
tors. eta vs tors. theta energy: -58.368
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: 5, replica: 2
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -795.682764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.682764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.682764 (E_RNA)
where:
Base-Base interactions energy: -553.299
where: short stacking energy: -234.984
Base-Backbone interact. energy: -0.018
local terms energy: -242.365362
where:
bonds (distance) C4'-P energy: -37.308
bonds (distance) P-C4' energy: -55.297
flat angles C4'-P-C4' energy: -48.921
flat angles P-C4'-P energy: -39.377
tors. eta vs tors. theta energy: -61.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -684.521873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.521873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.521873 (E_RNA)
where:
Base-Base interactions energy: -467.770
where: short stacking energy: -200.496
Base-Backbone interact. energy: -1.162
local terms energy: -215.589624
where:
bonds (distance) C4'-P energy: -38.306
bonds (distance) P-C4' energy: -44.677
flat angles C4'-P-C4' energy: -50.622
flat angles P-C4'-P energy: -34.500
tors. eta vs tors. theta energy: -47.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -655.817911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.817911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.817911 (E_RNA)
where:
Base-Base interactions energy: -448.708
where: short stacking energy: -193.479
Base-Backbone interact. energy: -1.008
local terms energy: -206.102595
where:
bonds (distance) C4'-P energy: -44.113
bonds (distance) P-C4' energy: -45.698
flat angles C4'-P-C4' energy: -54.258
flat angles P-C4'-P energy: -18.413
tors. eta vs tors. theta energy: -43.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -548.848394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.848394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.848394 (E_RNA)
where:
Base-Base interactions energy: -358.537
where: short stacking energy: -149.297
Base-Backbone interact. energy: 0.039
local terms energy: -190.349866
where:
bonds (distance) C4'-P energy: -46.943
bonds (distance) P-C4' energy: -47.106
flat angles C4'-P-C4' energy: -49.119
flat angles P-C4'-P energy: -22.883
tors. eta vs tors. theta energy: -24.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -431.154515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.154515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.154515 (E_RNA)
where:
Base-Base interactions energy: -262.376
where: short stacking energy: -122.259
Base-Backbone interact. energy: -1.440
local terms energy: -167.338745
where:
bonds (distance) C4'-P energy: -48.171
bonds (distance) P-C4' energy: -40.290
flat angles C4'-P-C4' energy: -36.280
flat angles P-C4'-P energy: -23.264
tors. eta vs tors. theta energy: -19.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -230.872982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.872982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.872982 (E_RNA)
where:
Base-Base interactions energy: -88.495
where: short stacking energy: -75.012
Base-Backbone interact. energy: -3.028
local terms energy: -139.350204
where:
bonds (distance) C4'-P energy: -44.593
bonds (distance) P-C4' energy: -27.554
flat angles C4'-P-C4' energy: -41.507
flat angles P-C4'-P energy: -24.518
tors. eta vs tors. theta energy: -1.178
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: 5
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -923.349583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.349583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.349583 (E_RNA)
where:
Base-Base interactions energy: -643.397
where: short stacking energy: -267.347
Base-Backbone interact. energy: -2.242
local terms energy: -277.710298
where:
bonds (distance) C4'-P energy: -52.214
bonds (distance) P-C4' energy: -51.963
flat angles C4'-P-C4' energy: -66.645
flat angles P-C4'-P energy: -35.600
tors. eta vs tors. theta energy: -71.289
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: 1
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -881.303487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.303487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.303487 (E_RNA)
where:
Base-Base interactions energy: -591.451
where: short stacking energy: -245.186
Base-Backbone interact. energy: -1.959
local terms energy: -287.893416
where:
bonds (distance) C4'-P energy: -59.358
bonds (distance) P-C4' energy: -54.417
flat angles C4'-P-C4' energy: -58.741
flat angles P-C4'-P energy: -47.920
tors. eta vs tors. theta energy: -67.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -860.262616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.262616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.262616 (E_RNA)
where:
Base-Base interactions energy: -588.875
where: short stacking energy: -262.228
Base-Backbone interact. energy: -0.869
local terms energy: -270.517778
where:
bonds (distance) C4'-P energy: -51.978
bonds (distance) P-C4' energy: -53.787
flat angles C4'-P-C4' energy: -52.832
flat angles P-C4'-P energy: -45.256
tors. eta vs tors. theta energy: -66.665
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: 3
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -802.280081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.280081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.280081 (E_RNA)
where:
Base-Base interactions energy: -558.172
where: short stacking energy: -232.926
Base-Backbone interact. energy: -0.730
local terms energy: -243.378087
where:
bonds (distance) C4'-P energy: -40.051
bonds (distance) P-C4' energy: -49.851
flat angles C4'-P-C4' energy: -56.249
flat angles P-C4'-P energy: -35.353
tors. eta vs tors. theta energy: -61.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -786.734621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.734621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.734621 (E_RNA)
where:
Base-Base interactions energy: -562.059
where: short stacking energy: -240.585
Base-Backbone interact. energy: -1.466
local terms energy: -223.209935
where:
bonds (distance) C4'-P energy: -36.252
bonds (distance) P-C4' energy: -40.932
flat angles C4'-P-C4' energy: -49.638
flat angles P-C4'-P energy: -37.173
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: 6, replica: 7
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -675.106312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.106312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.106312 (E_RNA)
where:
Base-Base interactions energy: -455.304
where: short stacking energy: -205.651
Base-Backbone interact. energy: -0.397
local terms energy: -219.404952
where:
bonds (distance) C4'-P energy: -37.002
bonds (distance) P-C4' energy: -53.086
flat angles C4'-P-C4' energy: -57.666
flat angles P-C4'-P energy: -23.794
tors. eta vs tors. theta energy: -47.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -595.805917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.805917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.805917 (E_RNA)
where:
Base-Base interactions energy: -396.429
where: short stacking energy: -186.659
Base-Backbone interact. energy: 0.237
local terms energy: -199.614051
where:
bonds (distance) C4'-P energy: -42.426
bonds (distance) P-C4' energy: -47.836
flat angles C4'-P-C4' energy: -49.123
flat angles P-C4'-P energy: -20.924
tors. eta vs tors. theta energy: -39.305
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: 8, replica: 9
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -572.738962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.738962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.738962 (E_RNA)
where:
Base-Base interactions energy: -366.954
where: short stacking energy: -150.900
Base-Backbone interact. energy: -0.313
local terms energy: -205.472606
where:
bonds (distance) C4'-P energy: -41.654
bonds (distance) P-C4' energy: -52.652
flat angles C4'-P-C4' energy: -44.655
flat angles P-C4'-P energy: -31.968
tors. eta vs tors. theta energy: -34.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -565.370864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.370864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.370864 (E_RNA)
where:
Base-Base interactions energy: -374.221
where: short stacking energy: -153.954
Base-Backbone interact. energy: -0.263
local terms energy: -190.887423
where:
bonds (distance) C4'-P energy: -47.459
bonds (distance) P-C4' energy: -47.904
flat angles C4'-P-C4' energy: -37.598
flat angles P-C4'-P energy: -24.820
tors. eta vs tors. theta energy: -33.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -219.015640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.015640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.015640 (E_RNA)
where:
Base-Base interactions energy: -97.863
where: short stacking energy: -72.057
Base-Backbone interact. energy: 5.352
local terms energy: -126.504649
where:
bonds (distance) C4'-P energy: -33.688
bonds (distance) P-C4' energy: -38.375
flat angles C4'-P-C4' energy: -33.977
flat angles P-C4'-P energy: -31.185
tors. eta vs tors. theta energy: 10.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -920.379385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.379385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.379385 (E_RNA)
where:
Base-Base interactions energy: -638.320
where: short stacking energy: -277.122
Base-Backbone interact. energy: 2.471
local terms energy: -284.530573
where:
bonds (distance) C4'-P energy: -46.196
bonds (distance) P-C4' energy: -54.123
flat angles C4'-P-C4' energy: -62.718
flat angles P-C4'-P energy: -43.370
tors. eta vs tors. theta energy: -78.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -867.629436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.629436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.629436 (E_RNA)
where:
Base-Base interactions energy: -609.566
where: short stacking energy: -273.785
Base-Backbone interact. energy: -1.975
local terms energy: -256.088269
where:
bonds (distance) C4'-P energy: -50.081
bonds (distance) P-C4' energy: -52.275
flat angles C4'-P-C4' energy: -54.492
flat angles P-C4'-P energy: -27.010
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: 3, replica: 3
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -816.028565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.028565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.028565 (E_RNA)
where:
Base-Base interactions energy: -557.446
where: short stacking energy: -239.941
Base-Backbone interact. energy: -1.013
local terms energy: -257.570244
where:
bonds (distance) C4'-P energy: -47.270
bonds (distance) P-C4' energy: -56.637
flat angles C4'-P-C4' energy: -49.393
flat angles P-C4'-P energy: -37.542
tors. eta vs tors. theta energy: -66.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -817.050765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.050765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.050765 (E_RNA)
where:
Base-Base interactions energy: -564.019
where: short stacking energy: -245.069
Base-Backbone interact. energy: -1.168
local terms energy: -251.864108
where:
bonds (distance) C4'-P energy: -46.323
bonds (distance) P-C4' energy: -48.629
flat angles C4'-P-C4' energy: -54.056
flat angles P-C4'-P energy: -33.965
tors. eta vs tors. theta energy: -68.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -823.609918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.609918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.609918 (E_RNA)
where:
Base-Base interactions energy: -568.428
where: short stacking energy: -236.123
Base-Backbone interact. energy: -0.618
local terms energy: -254.563737
where:
bonds (distance) C4'-P energy: -54.569
bonds (distance) P-C4' energy: -49.943
flat angles C4'-P-C4' energy: -50.722
flat angles P-C4'-P energy: -26.315
tors. eta vs tors. theta energy: -73.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -667.335933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.335933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.335933 (E_RNA)
where:
Base-Base interactions energy: -446.880
where: short stacking energy: -205.458
Base-Backbone interact. energy: -0.913
local terms energy: -219.542911
where:
bonds (distance) C4'-P energy: -49.196
bonds (distance) P-C4' energy: -50.081
flat angles C4'-P-C4' energy: -47.373
flat angles P-C4'-P energy: -27.579
tors. eta vs tors. theta energy: -45.314
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: 6
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -656.983596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.983596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.983596 (E_RNA)
where:
Base-Base interactions energy: -435.374
where: short stacking energy: -188.610
Base-Backbone interact. energy: -0.614
local terms energy: -220.995544
where:
bonds (distance) C4'-P energy: -46.908
bonds (distance) P-C4' energy: -47.222
flat angles C4'-P-C4' energy: -56.034
flat angles P-C4'-P energy: -28.748
tors. eta vs tors. theta energy: -42.084
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: 9
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -556.654120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.654120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.654120 (E_RNA)
where:
Base-Base interactions energy: -368.299
where: short stacking energy: -178.758
Base-Backbone interact. energy: 0.588
local terms energy: -188.942630
where:
bonds (distance) C4'-P energy: -41.186
bonds (distance) P-C4' energy: -50.990
flat angles C4'-P-C4' energy: -34.302
flat angles P-C4'-P energy: -29.563
tors. eta vs tors. theta energy: -32.902
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: 8
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -560.723748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.723748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.723748 (E_RNA)
where:
Base-Base interactions energy: -355.469
where: short stacking energy: -150.201
Base-Backbone interact. energy: 0.861
local terms energy: -206.115029
where:
bonds (distance) C4'-P energy: -40.251
bonds (distance) P-C4' energy: -40.337
flat angles C4'-P-C4' energy: -49.560
flat angles P-C4'-P energy: -37.294
tors. eta vs tors. theta energy: -38.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -248.709499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.709499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.709499 (E_RNA)
where:
Base-Base interactions energy: -91.699
where: short stacking energy: -74.456
Base-Backbone interact. energy: -0.122
local terms energy: -156.888170
where:
bonds (distance) C4'-P energy: -45.535
bonds (distance) P-C4' energy: -55.986
flat angles C4'-P-C4' energy: -40.343
flat angles P-C4'-P energy: -20.984
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: 5
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -943.210481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.210481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.210481 (E_RNA)
where:
Base-Base interactions energy: -659.986
where: short stacking energy: -289.322
Base-Backbone interact. energy: -0.916
local terms energy: -282.308777
where:
bonds (distance) C4'-P energy: -48.428
bonds (distance) P-C4' energy: -53.124
flat angles C4'-P-C4' energy: -62.404
flat angles P-C4'-P energy: -38.350
tors. eta vs tors. theta energy: -80.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -869.600864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.600864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.600864 (E_RNA)
where:
Base-Base interactions energy: -597.205
where: short stacking energy: -259.633
Base-Backbone interact. energy: -2.940
local terms energy: -269.455727
where:
bonds (distance) C4'-P energy: -43.459
bonds (distance) P-C4' energy: -57.504
flat angles C4'-P-C4' energy: -61.940
flat angles P-C4'-P energy: -43.888
tors. eta vs tors. theta energy: -62.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -819.912230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.912230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.912230 (E_RNA)
where:
Base-Base interactions energy: -563.487
where: short stacking energy: -230.594
Base-Backbone interact. energy: -0.537
local terms energy: -255.888240
where:
bonds (distance) C4'-P energy: -49.008
bonds (distance) P-C4' energy: -51.453
flat angles C4'-P-C4' energy: -64.148
flat angles P-C4'-P energy: -32.394
tors. eta vs tors. theta energy: -58.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -836.662097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.662097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.662097 (E_RNA)
where:
Base-Base interactions energy: -572.529
where: short stacking energy: -248.642
Base-Backbone interact. energy: 2.126
local terms energy: -266.258894
where:
bonds (distance) C4'-P energy: -50.658
bonds (distance) P-C4' energy: -55.819
flat angles C4'-P-C4' energy: -56.795
flat angles P-C4'-P energy: -38.505
tors. eta vs tors. theta energy: -64.481
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: 2
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -819.612020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.612020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.612020 (E_RNA)
where:
Base-Base interactions energy: -573.091
where: short stacking energy: -254.098
Base-Backbone interact. energy: 0.125
local terms energy: -246.645658
where:
bonds (distance) C4'-P energy: -38.004
bonds (distance) P-C4' energy: -53.686
flat angles C4'-P-C4' energy: -51.914
flat angles P-C4'-P energy: -38.606
tors. eta vs tors. theta energy: -64.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -668.332069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.332069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.332069 (E_RNA)
where:
Base-Base interactions energy: -446.565
where: short stacking energy: -187.020
Base-Backbone interact. energy: -0.658
local terms energy: -221.108923
where:
bonds (distance) C4'-P energy: -49.053
bonds (distance) P-C4' energy: -48.100
flat angles C4'-P-C4' energy: -50.903
flat angles P-C4'-P energy: -32.481
tors. eta vs tors. theta energy: -40.572
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: 7
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -655.919454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.919454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.919454 (E_RNA)
where:
Base-Base interactions energy: -433.020
where: short stacking energy: -202.659
Base-Backbone interact. energy: -1.194
local terms energy: -221.706324
where:
bonds (distance) C4'-P energy: -50.513
bonds (distance) P-C4' energy: -42.346
flat angles C4'-P-C4' energy: -46.892
flat angles P-C4'-P energy: -31.959
tors. eta vs tors. theta energy: -49.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -576.865578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.865578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.865578 (E_RNA)
where:
Base-Base interactions energy: -363.310
where: short stacking energy: -176.167
Base-Backbone interact. energy: -1.268
local terms energy: -212.288173
where:
bonds (distance) C4'-P energy: -50.605
bonds (distance) P-C4' energy: -46.924
flat angles C4'-P-C4' energy: -45.516
flat angles P-C4'-P energy: -31.814
tors. eta vs tors. theta energy: -37.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -481.630079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.630079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.630079 (E_RNA)
where:
Base-Base interactions energy: -304.489
where: short stacking energy: -135.296
Base-Backbone interact. energy: 2.538
local terms energy: -179.679452
where:
bonds (distance) C4'-P energy: -35.619
bonds (distance) P-C4' energy: -45.768
flat angles C4'-P-C4' energy: -42.669
flat angles P-C4'-P energy: -33.695
tors. eta vs tors. theta energy: -21.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -233.714319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.714319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.714319 (E_RNA)
where:
Base-Base interactions energy: -84.003
where: short stacking energy: -69.602
Base-Backbone interact. energy: -0.801
local terms energy: -148.910742
where:
bonds (distance) C4'-P energy: -41.123
bonds (distance) P-C4' energy: -50.590
flat angles C4'-P-C4' energy: -32.846
flat angles P-C4'-P energy: -20.303
tors. eta vs tors. theta energy: -4.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -935.800338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.800338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.800338 (E_RNA)
where:
Base-Base interactions energy: -644.318
where: short stacking energy: -280.876
Base-Backbone interact. energy: -1.417
local terms energy: -290.064744
where:
bonds (distance) C4'-P energy: -53.273
bonds (distance) P-C4' energy: -55.360
flat angles C4'-P-C4' energy: -53.124
flat angles P-C4'-P energy: -49.528
tors. eta vs tors. theta energy: -78.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -925.764051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.764051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.764051 (E_RNA)
where:
Base-Base interactions energy: -645.918
where: short stacking energy: -272.785
Base-Backbone interact. energy: -1.944
local terms energy: -277.901407
where:
bonds (distance) C4'-P energy: -51.897
bonds (distance) P-C4' energy: -57.244
flat angles C4'-P-C4' energy: -50.952
flat angles P-C4'-P energy: -45.153
tors. eta vs tors. theta energy: -72.655
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: 4
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -858.404784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.404784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.404784 (E_RNA)
where:
Base-Base interactions energy: -590.321
where: short stacking energy: -271.032
Base-Backbone interact. energy: -1.336
local terms energy: -266.747811
where:
bonds (distance) C4'-P energy: -57.205
bonds (distance) P-C4' energy: -45.528
flat angles C4'-P-C4' energy: -53.337
flat angles P-C4'-P energy: -36.297
tors. eta vs tors. theta energy: -74.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -787.337239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.337239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.337239 (E_RNA)
where:
Base-Base interactions energy: -535.343
where: short stacking energy: -230.030
Base-Backbone interact. energy: -0.720
local terms energy: -251.273803
where:
bonds (distance) C4'-P energy: -45.360
bonds (distance) P-C4' energy: -43.421
flat angles C4'-P-C4' energy: -62.646
flat angles P-C4'-P energy: -40.157
tors. eta vs tors. theta energy: -59.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -814.485104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.485104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.485104 (E_RNA)
where:
Base-Base interactions energy: -568.835
where: short stacking energy: -236.735
Base-Backbone interact. energy: 2.302
local terms energy: -247.952076
where:
bonds (distance) C4'-P energy: -44.406
bonds (distance) P-C4' energy: -43.700
flat angles C4'-P-C4' energy: -56.085
flat angles P-C4'-P energy: -40.080
tors. eta vs tors. theta energy: -63.682
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: 6, replica: 6
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -694.782925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.782925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.782925 (E_RNA)
where:
Base-Base interactions energy: -461.339
where: short stacking energy: -204.824
Base-Backbone interact. energy: 0.990
local terms energy: -234.434358
where:
bonds (distance) C4'-P energy: -46.542
bonds (distance) P-C4' energy: -46.293
flat angles C4'-P-C4' energy: -53.693
flat angles P-C4'-P energy: -35.093
tors. eta vs tors. theta energy: -52.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -622.146312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.146312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.146312 (E_RNA)
where:
Base-Base interactions energy: -404.178
where: short stacking energy: -171.767
Base-Backbone interact. energy: -0.518
local terms energy: -217.450330
where:
bonds (distance) C4'-P energy: -48.297
bonds (distance) P-C4' energy: -49.561
flat angles C4'-P-C4' energy: -42.059
flat angles P-C4'-P energy: -33.044
tors. eta vs tors. theta energy: -44.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -592.212313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.212313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.212313 (E_RNA)
where:
Base-Base interactions energy: -369.384
where: short stacking energy: -172.272
Base-Backbone interact. energy: -0.523
local terms energy: -222.304914
where:
bonds (distance) C4'-P energy: -36.399
bonds (distance) P-C4' energy: -54.163
flat angles C4'-P-C4' energy: -53.774
flat angles P-C4'-P energy: -33.969
tors. eta vs tors. theta energy: -44.000
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: 9, replica: 9
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -443.816520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.816520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.816520 (E_RNA)
where:
Base-Base interactions energy: -287.031
where: short stacking energy: -136.186
Base-Backbone interact. energy: 0.859
local terms energy: -157.645127
where:
bonds (distance) C4'-P energy: -43.572
bonds (distance) P-C4' energy: -35.856
flat angles C4'-P-C4' energy: -42.530
flat angles P-C4'-P energy: -17.562
tors. eta vs tors. theta energy: -18.126
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: 10
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -218.503951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.503951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.503951 (E_RNA)
where:
Base-Base interactions energy: -103.719
where: short stacking energy: -86.359
Base-Backbone interact. energy: 5.898
local terms energy: -120.682354
where:
bonds (distance) C4'-P energy: -38.937
bonds (distance) P-C4' energy: -27.115
flat angles C4'-P-C4' energy: -31.476
flat angles P-C4'-P energy: -27.855
tors. eta vs tors. theta energy: 4.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -933.735469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.735469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.735469 (E_RNA)
where:
Base-Base interactions energy: -631.745
where: short stacking energy: -274.761
Base-Backbone interact. energy: -1.189
local terms energy: -300.801330
where:
bonds (distance) C4'-P energy: -60.961
bonds (distance) P-C4' energy: -56.338
flat angles C4'-P-C4' energy: -61.009
flat angles P-C4'-P energy: -44.054
tors. eta vs tors. theta energy: -78.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -894.606334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.606334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.606334 (E_RNA)
where:
Base-Base interactions energy: -605.364
where: short stacking energy: -255.616
Base-Backbone interact. energy: -2.682
local terms energy: -286.560893
where:
bonds (distance) C4'-P energy: -52.539
bonds (distance) P-C4' energy: -54.781
flat angles C4'-P-C4' energy: -60.697
flat angles P-C4'-P energy: -44.404
tors. eta vs tors. theta energy: -74.140
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: 41
Temperature: 1.000000
Total energy: -868.240152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.240152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.240152 (E_RNA)
where:
Base-Base interactions energy: -594.931
where: short stacking energy: -267.841
Base-Backbone interact. energy: 0.341
local terms energy: -273.650147
where:
bonds (distance) C4'-P energy: -43.542
bonds (distance) P-C4' energy: -57.706
flat angles C4'-P-C4' energy: -56.404
flat angles P-C4'-P energy: -41.126
tors. eta vs tors. theta energy: -74.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -832.924543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.924543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.924543 (E_RNA)
where:
Base-Base interactions energy: -587.720
where: short stacking energy: -242.078
Base-Backbone interact. energy: -0.780
local terms energy: -244.425290
where:
bonds (distance) C4'-P energy: -45.451
bonds (distance) P-C4' energy: -52.029
flat angles C4'-P-C4' energy: -49.960
flat angles P-C4'-P energy: -37.727
tors. eta vs tors. theta energy: -59.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -766.082780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.082780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.082780 (E_RNA)
where:
Base-Base interactions energy: -522.513
where: short stacking energy: -223.811
Base-Backbone interact. energy: 0.568
local terms energy: -244.138727
where:
bonds (distance) C4'-P energy: -49.804
bonds (distance) P-C4' energy: -50.965
flat angles C4'-P-C4' energy: -42.130
flat angles P-C4'-P energy: -37.216
tors. eta vs tors. theta energy: -64.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -695.214671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.214671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.214671 (E_RNA)
where:
Base-Base interactions energy: -457.701
where: short stacking energy: -196.718
Base-Backbone interact. energy: -2.357
local terms energy: -235.157026
where:
bonds (distance) C4'-P energy: -48.474
bonds (distance) P-C4' energy: -41.390
flat angles C4'-P-C4' energy: -58.120
flat angles P-C4'-P energy: -35.975
tors. eta vs tors. theta energy: -51.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -669.484553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.484553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.484553 (E_RNA)
where:
Base-Base interactions energy: -453.159
where: short stacking energy: -210.303
Base-Backbone interact. energy: -0.429
local terms energy: -215.896920
where:
bonds (distance) C4'-P energy: -42.974
bonds (distance) P-C4' energy: -46.432
flat angles C4'-P-C4' energy: -46.976
flat angles P-C4'-P energy: -28.455
tors. eta vs tors. theta energy: -51.060
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: 8
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -587.134652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.134652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.134652 (E_RNA)
where:
Base-Base interactions energy: -389.759
where: short stacking energy: -180.250
Base-Backbone interact. energy: 1.335
local terms energy: -198.710247
where:
bonds (distance) C4'-P energy: -40.993
bonds (distance) P-C4' energy: -44.392
flat angles C4'-P-C4' energy: -45.928
flat angles P-C4'-P energy: -22.981
tors. eta vs tors. theta energy: -44.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -459.788536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.788536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.788536 (E_RNA)
where:
Base-Base interactions energy: -274.480
where: short stacking energy: -118.453
Base-Backbone interact. energy: -2.061
local terms energy: -183.247798
where:
bonds (distance) C4'-P energy: -47.412
bonds (distance) P-C4' energy: -42.589
flat angles C4'-P-C4' energy: -43.595
flat angles P-C4'-P energy: -28.256
tors. eta vs tors. theta energy: -21.396
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: 10
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -239.111858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.111858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.111858 (E_RNA)
where:
Base-Base interactions energy: -104.076
where: short stacking energy: -70.288
Base-Backbone interact. energy: 4.355
local terms energy: -139.390457
where:
bonds (distance) C4'-P energy: -38.247
bonds (distance) P-C4' energy: -43.932
flat angles C4'-P-C4' energy: -39.729
flat angles P-C4'-P energy: -20.208
tors. eta vs tors. theta energy: 2.726
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: 1
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -922.409974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.409974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.409974 (E_RNA)
where:
Base-Base interactions energy: -638.760
where: short stacking energy: -283.514
Base-Backbone interact. energy: -1.814
local terms energy: -281.835938
where:
bonds (distance) C4'-P energy: -53.084
bonds (distance) P-C4' energy: -55.438
flat angles C4'-P-C4' energy: -60.419
flat angles P-C4'-P energy: -36.333
tors. eta vs tors. theta energy: -76.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -908.541757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.541757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.541757 (E_RNA)
where:
Base-Base interactions energy: -636.216
where: short stacking energy: -270.457
Base-Backbone interact. energy: -1.340
local terms energy: -270.986126
where:
bonds (distance) C4'-P energy: -39.839
bonds (distance) P-C4' energy: -57.777
flat angles C4'-P-C4' energy: -58.589
flat angles P-C4'-P energy: -39.289
tors. eta vs tors. theta energy: -75.492
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: 4
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -873.502260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.502260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.502260 (E_RNA)
where:
Base-Base interactions energy: -607.924
where: short stacking energy: -263.701
Base-Backbone interact. energy: -0.456
local terms energy: -265.122758
where:
bonds (distance) C4'-P energy: -49.625
bonds (distance) P-C4' energy: -46.832
flat angles C4'-P-C4' energy: -56.309
flat angles P-C4'-P energy: -35.827
tors. eta vs tors. theta energy: -76.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -833.867779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.867779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.867779 (E_RNA)
where:
Base-Base interactions energy: -578.915
where: short stacking energy: -230.856
Base-Backbone interact. energy: -1.072
local terms energy: -253.880299
where:
bonds (distance) C4'-P energy: -50.518
bonds (distance) P-C4' energy: -49.451
flat angles C4'-P-C4' energy: -56.509
flat angles P-C4'-P energy: -35.015
tors. eta vs tors. theta energy: -62.388
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: 42
Temperature: 1.100000
Total energy: -756.147665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.147665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.147665 (E_RNA)
where:
Base-Base interactions energy: -513.909
where: short stacking energy: -226.202
Base-Backbone interact. energy: -0.580
local terms energy: -241.658914
where:
bonds (distance) C4'-P energy: -43.866
bonds (distance) P-C4' energy: -54.995
flat angles C4'-P-C4' energy: -47.773
flat angles P-C4'-P energy: -33.069
tors. eta vs tors. theta energy: -61.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -682.296076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.296076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.296076 (E_RNA)
where:
Base-Base interactions energy: -462.843
where: short stacking energy: -213.051
Base-Backbone interact. energy: 2.085
local terms energy: -221.537979
where:
bonds (distance) C4'-P energy: -40.852
bonds (distance) P-C4' energy: -45.654
flat angles C4'-P-C4' energy: -46.425
flat angles P-C4'-P energy: -33.161
tors. eta vs tors. theta energy: -55.446
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: 7
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -661.409684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.409684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.409684 (E_RNA)
where:
Base-Base interactions energy: -452.511
where: short stacking energy: -193.660
Base-Backbone interact. energy: 0.761
local terms energy: -209.659311
where:
bonds (distance) C4'-P energy: -34.311
bonds (distance) P-C4' energy: -48.636
flat angles C4'-P-C4' energy: -44.931
flat angles P-C4'-P energy: -28.716
tors. eta vs tors. theta energy: -53.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -526.028895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.028895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.028895 (E_RNA)
where:
Base-Base interactions energy: -328.454
where: short stacking energy: -149.040
Base-Backbone interact. energy: 0.851
local terms energy: -198.425274
where:
bonds (distance) C4'-P energy: -45.918
bonds (distance) P-C4' energy: -50.555
flat angles C4'-P-C4' energy: -46.955
flat angles P-C4'-P energy: -22.092
tors. eta vs tors. theta energy: -32.906
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: 9
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -429.270186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.270186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.270186 (E_RNA)
where:
Base-Base interactions energy: -254.038
where: short stacking energy: -119.469
Base-Backbone interact. energy: 1.751
local terms energy: -176.983263
where:
bonds (distance) C4'-P energy: -46.606
bonds (distance) P-C4' energy: -42.051
flat angles C4'-P-C4' energy: -42.423
flat angles P-C4'-P energy: -32.125
tors. eta vs tors. theta energy: -13.778
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: 10
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -225.359345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.359345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.359345 (E_RNA)
where:
Base-Base interactions energy: -81.799
where: short stacking energy: -50.841
Base-Backbone interact. energy: -1.372
local terms energy: -142.187996
where:
bonds (distance) C4'-P energy: -39.679
bonds (distance) P-C4' energy: -40.797
flat angles C4'-P-C4' energy: -34.848
flat angles P-C4'-P energy: -27.866
tors. eta vs tors. theta energy: 1.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -935.932575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.932575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.932575 (E_RNA)
where:
Base-Base interactions energy: -642.011
where: short stacking energy: -277.035
Base-Backbone interact. energy: -0.531
local terms energy: -293.389984
where:
bonds (distance) C4'-P energy: -59.531
bonds (distance) P-C4' energy: -53.994
flat angles C4'-P-C4' energy: -62.889
flat angles P-C4'-P energy: -39.871
tors. eta vs tors. theta energy: -77.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -905.988645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.988645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.988645 (E_RNA)
where:
Base-Base interactions energy: -615.402
where: short stacking energy: -254.525
Base-Backbone interact. energy: -1.196
local terms energy: -289.390924
where:
bonds (distance) C4'-P energy: -56.452
bonds (distance) P-C4' energy: -61.757
flat angles C4'-P-C4' energy: -56.773
flat angles P-C4'-P energy: -43.011
tors. eta vs tors. theta energy: -71.398
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: 4
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -860.526216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.526216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.526216 (E_RNA)
where:
Base-Base interactions energy: -582.976
where: short stacking energy: -257.712
Base-Backbone interact. energy: -0.979
local terms energy: -276.571206
where:
bonds (distance) C4'-P energy: -48.294
bonds (distance) P-C4' energy: -56.188
flat angles C4'-P-C4' energy: -59.716
flat angles P-C4'-P energy: -38.582
tors. eta vs tors. theta energy: -73.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -823.089643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.089643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.089643 (E_RNA)
where:
Base-Base interactions energy: -564.388
where: short stacking energy: -235.411
Base-Backbone interact. energy: 0.299
local terms energy: -259.000416
where:
bonds (distance) C4'-P energy: -54.282
bonds (distance) P-C4' energy: -48.928
flat angles C4'-P-C4' energy: -54.131
flat angles P-C4'-P energy: -40.876
tors. eta vs tors. theta energy: -60.784
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: 43
Temperature: 1.100000
Total energy: -781.654498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.654498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.654498 (E_RNA)
where:
Base-Base interactions energy: -542.126
where: short stacking energy: -215.305
Base-Backbone interact. energy: -1.115
local terms energy: -238.413411
where:
bonds (distance) C4'-P energy: -52.269
bonds (distance) P-C4' energy: -38.469
flat angles C4'-P-C4' energy: -47.059
flat angles P-C4'-P energy: -38.913
tors. eta vs tors. theta energy: -61.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -681.670746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.670746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.670746 (E_RNA)
where:
Base-Base interactions energy: -459.708
where: short stacking energy: -203.553
Base-Backbone interact. energy: -0.095
local terms energy: -221.867570
where:
bonds (distance) C4'-P energy: -44.970
bonds (distance) P-C4' energy: -35.677
flat angles C4'-P-C4' energy: -52.870
flat angles P-C4'-P energy: -35.678
tors. eta vs tors. theta energy: -52.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -684.791690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.791690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.791690 (E_RNA)
where:
Base-Base interactions energy: -457.841
where: short stacking energy: -217.036
Base-Backbone interact. energy: -0.026
local terms energy: -226.924375
where:
bonds (distance) C4'-P energy: -46.640
bonds (distance) P-C4' energy: -54.995
flat angles C4'-P-C4' energy: -44.392
flat angles P-C4'-P energy: -34.587
tors. eta vs tors. theta energy: -46.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -556.575507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.575507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.575507 (E_RNA)
where:
Base-Base interactions energy: -346.685
where: short stacking energy: -151.878
Base-Backbone interact. energy: -1.077
local terms energy: -208.813984
where:
bonds (distance) C4'-P energy: -40.207
bonds (distance) P-C4' energy: -44.559
flat angles C4'-P-C4' energy: -58.569
flat angles P-C4'-P energy: -38.930
tors. eta vs tors. theta energy: -26.548
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: 9
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -422.899417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.899417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.899417 (E_RNA)
where:
Base-Base interactions energy: -261.421
where: short stacking energy: -123.148
Base-Backbone interact. energy: -0.656
local terms energy: -160.821509
where:
bonds (distance) C4'-P energy: -27.239
bonds (distance) P-C4' energy: -39.405
flat angles C4'-P-C4' energy: -43.873
flat angles P-C4'-P energy: -33.991
tors. eta vs tors. theta energy: -16.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -254.268543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.268543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.268543 (E_RNA)
where:
Base-Base interactions energy: -103.565
where: short stacking energy: -96.141
Base-Backbone interact. energy: -0.768
local terms energy: -149.935522
where:
bonds (distance) C4'-P energy: -41.358
bonds (distance) P-C4' energy: -41.960
flat angles C4'-P-C4' energy: -37.084
flat angles P-C4'-P energy: -19.067
tors. eta vs tors. theta energy: -10.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -929.653780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.653780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.653780 (E_RNA)
where:
Base-Base interactions energy: -645.581
where: short stacking energy: -270.192
Base-Backbone interact. energy: 0.745
local terms energy: -284.817477
where:
bonds (distance) C4'-P energy: -49.444
bonds (distance) P-C4' energy: -57.492
flat angles C4'-P-C4' energy: -66.404
flat angles P-C4'-P energy: -35.644
tors. eta vs tors. theta energy: -75.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -905.275885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.275885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.275885 (E_RNA)
where:
Base-Base interactions energy: -615.690
where: short stacking energy: -268.720
Base-Backbone interact. energy: -0.456
local terms energy: -289.129221
where:
bonds (distance) C4'-P energy: -58.290
bonds (distance) P-C4' energy: -52.967
flat angles C4'-P-C4' energy: -60.422
flat angles P-C4'-P energy: -39.324
tors. eta vs tors. theta energy: -78.127
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: 44
Temperature: 1.000000
Total energy: -863.785781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.785781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.785781 (E_RNA)
where:
Base-Base interactions energy: -594.578
where: short stacking energy: -258.871
Base-Backbone interact. energy: -0.783
local terms energy: -268.424536
where:
bonds (distance) C4'-P energy: -45.304
bonds (distance) P-C4' energy: -52.064
flat angles C4'-P-C4' energy: -59.610
flat angles P-C4'-P energy: -41.190
tors. eta vs tors. theta energy: -70.256
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: 2
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -811.931288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.931288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.931288 (E_RNA)
where:
Base-Base interactions energy: -544.063
where: short stacking energy: -251.904
Base-Backbone interact. energy: -1.122
local terms energy: -266.745504
where:
bonds (distance) C4'-P energy: -43.086
bonds (distance) P-C4' energy: -56.012
flat angles C4'-P-C4' energy: -59.407
flat angles P-C4'-P energy: -42.977
tors. eta vs tors. theta energy: -65.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -758.743571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.743571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.743571 (E_RNA)
where:
Base-Base interactions energy: -513.692
where: short stacking energy: -217.036
Base-Backbone interact. energy: -0.134
local terms energy: -244.917202
where:
bonds (distance) C4'-P energy: -41.513
bonds (distance) P-C4' energy: -54.634
flat angles C4'-P-C4' energy: -52.251
flat angles P-C4'-P energy: -33.526
tors. eta vs tors. theta energy: -62.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -696.505691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.505691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.505691 (E_RNA)
where:
Base-Base interactions energy: -455.679
where: short stacking energy: -200.922
Base-Backbone interact. energy: -1.005
local terms energy: -239.820988
where:
bonds (distance) C4'-P energy: -47.827
bonds (distance) P-C4' energy: -50.943
flat angles C4'-P-C4' energy: -53.464
flat angles P-C4'-P energy: -32.079
tors. eta vs tors. theta energy: -55.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -672.179034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.179034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.179034 (E_RNA)
where:
Base-Base interactions energy: -458.566
where: short stacking energy: -193.437
Base-Backbone interact. energy: 2.969
local terms energy: -216.581187
where:
bonds (distance) C4'-P energy: -47.664
bonds (distance) P-C4' energy: -46.261
flat angles C4'-P-C4' energy: -44.626
flat angles P-C4'-P energy: -30.210
tors. eta vs tors. theta energy: -47.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -573.395839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.395839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.395839 (E_RNA)
where:
Base-Base interactions energy: -375.987
where: short stacking energy: -156.380
Base-Backbone interact. energy: -0.660
local terms energy: -196.748355
where:
bonds (distance) C4'-P energy: -45.184
bonds (distance) P-C4' energy: -38.216
flat angles C4'-P-C4' energy: -49.605
flat angles P-C4'-P energy: -28.470
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: 9, replica: 9
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -417.127446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.127446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.127446 (E_RNA)
where:
Base-Base interactions energy: -250.520
where: short stacking energy: -110.139
Base-Backbone interact. energy: -0.998
local terms energy: -165.609256
where:
bonds (distance) C4'-P energy: -46.575
bonds (distance) P-C4' energy: -46.469
flat angles C4'-P-C4' energy: -43.578
flat angles P-C4'-P energy: -27.530
tors. eta vs tors. theta energy: -1.457
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: 10
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -325.696416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.696416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.696416 (E_RNA)
where:
Base-Base interactions energy: -173.438
where: short stacking energy: -89.204
Base-Backbone interact. energy: -2.482
local terms energy: -149.776663
where:
bonds (distance) C4'-P energy: -44.638
bonds (distance) P-C4' energy: -30.103
flat angles C4'-P-C4' energy: -49.759
flat angles P-C4'-P energy: -22.270
tors. eta vs tors. theta energy: -3.007
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: 1, replica: 1
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -921.907434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.907434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.907434 (E_RNA)
where:
Base-Base interactions energy: -635.959
where: short stacking energy: -282.003
Base-Backbone interact. energy: -1.936
local terms energy: -284.012731
where:
bonds (distance) C4'-P energy: -48.414
bonds (distance) P-C4' energy: -56.633
flat angles C4'-P-C4' energy: -60.182
flat angles P-C4'-P energy: -40.427
tors. eta vs tors. theta energy: -78.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -907.592982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.592982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.592982 (E_RNA)
where:
Base-Base interactions energy: -627.987
where: short stacking energy: -282.357
Base-Backbone interact. energy: -1.034
local terms energy: -278.572475
where:
bonds (distance) C4'-P energy: -48.605
bonds (distance) P-C4' energy: -58.679
flat angles C4'-P-C4' energy: -57.469
flat angles P-C4'-P energy: -41.799
tors. eta vs tors. theta energy: -72.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -876.555411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.555411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.555411 (E_RNA)
where:
Base-Base interactions energy: -616.188
where: short stacking energy: -253.428
Base-Backbone interact. energy: -0.095
local terms energy: -260.272521
where:
bonds (distance) C4'-P energy: -39.876
bonds (distance) P-C4' energy: -52.420
flat angles C4'-P-C4' energy: -57.686
flat angles P-C4'-P energy: -38.227
tors. eta vs tors. theta energy: -72.064
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: 45
Temperature: 1.050000
Total energy: -808.129135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.129135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.129135 (E_RNA)
where:
Base-Base interactions energy: -534.521
where: short stacking energy: -233.900
Base-Backbone interact. energy: -1.418
local terms energy: -272.189384
where:
bonds (distance) C4'-P energy: -48.210
bonds (distance) P-C4' energy: -57.183
flat angles C4'-P-C4' energy: -53.711
flat angles P-C4'-P energy: -43.420
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: 5, replica: 3
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -781.062053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.062053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.062053 (E_RNA)
where:
Base-Base interactions energy: -543.777
where: short stacking energy: -232.462
Base-Backbone interact. energy: -1.502
local terms energy: -235.782315
where:
bonds (distance) C4'-P energy: -40.051
bonds (distance) P-C4' energy: -59.584
flat angles C4'-P-C4' energy: -52.228
flat angles P-C4'-P energy: -28.559
tors. eta vs tors. theta energy: -55.360
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: 6, replica: 6
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -701.718595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.718595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.718595 (E_RNA)
where:
Base-Base interactions energy: -479.952
where: short stacking energy: -194.919
Base-Backbone interact. energy: 0.369
local terms energy: -222.135317
where:
bonds (distance) C4'-P energy: -47.219
bonds (distance) P-C4' energy: -41.579
flat angles C4'-P-C4' energy: -50.006
flat angles P-C4'-P energy: -34.380
tors. eta vs tors. theta energy: -48.951
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: 7, replica: 7
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -661.128136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.128136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.128136 (E_RNA)
where:
Base-Base interactions energy: -444.762
where: short stacking energy: -192.444
Base-Backbone interact. energy: 0.055
local terms energy: -216.421389
where:
bonds (distance) C4'-P energy: -52.886
bonds (distance) P-C4' energy: -37.758
flat angles C4'-P-C4' energy: -52.714
flat angles P-C4'-P energy: -26.909
tors. eta vs tors. theta energy: -46.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -561.598626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.598626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.598626 (E_RNA)
where:
Base-Base interactions energy: -371.240
where: short stacking energy: -175.743
Base-Backbone interact. energy: 0.170
local terms energy: -190.527984
where:
bonds (distance) C4'-P energy: -38.481
bonds (distance) P-C4' energy: -43.767
flat angles C4'-P-C4' energy: -47.163
flat angles P-C4'-P energy: -29.995
tors. eta vs tors. theta energy: -31.121
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: 9
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -426.982876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.982876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.982876 (E_RNA)
where:
Base-Base interactions energy: -264.007
where: short stacking energy: -126.799
Base-Backbone interact. energy: -0.115
local terms energy: -162.861568
where:
bonds (distance) C4'-P energy: -40.919
bonds (distance) P-C4' energy: -44.978
flat angles C4'-P-C4' energy: -41.429
flat angles P-C4'-P energy: -34.019
tors. eta vs tors. theta energy: -1.516
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: 10
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -316.780923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.780923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.780923 (E_RNA)
where:
Base-Base interactions energy: -160.122
where: short stacking energy: -76.634
Base-Backbone interact. energy: -1.634
local terms energy: -155.024456
where:
bonds (distance) C4'-P energy: -50.568
bonds (distance) P-C4' energy: -52.281
flat angles C4'-P-C4' energy: -37.850
flat angles P-C4'-P energy: -20.633
tors. eta vs tors. theta energy: 6.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -934.953161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.953161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.953161 (E_RNA)
where:
Base-Base interactions energy: -638.076
where: short stacking energy: -265.722
Base-Backbone interact. energy: 0.266
local terms energy: -297.143192
where:
bonds (distance) C4'-P energy: -55.957
bonds (distance) P-C4' energy: -59.828
flat angles C4'-P-C4' energy: -57.000
flat angles P-C4'-P energy: -47.565
tors. eta vs tors. theta energy: -76.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -882.489947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.489947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.489947 (E_RNA)
where:
Base-Base interactions energy: -599.748
where: short stacking energy: -246.292
Base-Backbone interact. energy: -2.565
local terms energy: -280.176963
where:
bonds (distance) C4'-P energy: -49.118
bonds (distance) P-C4' energy: -57.020
flat angles C4'-P-C4' energy: -64.369
flat angles P-C4'-P energy: -41.680
tors. eta vs tors. theta energy: -67.990
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: 46
Temperature: 1.000000
Total energy: -880.560003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.560003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.560003 (E_RNA)
where:
Base-Base interactions energy: -606.967
where: short stacking energy: -247.549
Base-Backbone interact. energy: -1.020
local terms energy: -272.573025
where:
bonds (distance) C4'-P energy: -56.960
bonds (distance) P-C4' energy: -51.236
flat angles C4'-P-C4' energy: -54.197
flat angles P-C4'-P energy: -40.507
tors. eta vs tors. theta energy: -69.673
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: 46
Temperature: 1.050000
Total energy: -814.770627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.770627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.770627 (E_RNA)
where:
Base-Base interactions energy: -545.489
where: short stacking energy: -243.990
Base-Backbone interact. energy: -0.899
local terms energy: -268.383061
where:
bonds (distance) C4'-P energy: -48.712
bonds (distance) P-C4' energy: -52.612
flat angles C4'-P-C4' energy: -56.656
flat angles P-C4'-P energy: -43.338
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: 5, replica: 3
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -773.425007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.425007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.425007 (E_RNA)
where:
Base-Base interactions energy: -522.279
where: short stacking energy: -223.248
Base-Backbone interact. energy: 0.234
local terms energy: -251.379611
where:
bonds (distance) C4'-P energy: -55.279
bonds (distance) P-C4' energy: -52.662
flat angles C4'-P-C4' energy: -54.495
flat angles P-C4'-P energy: -36.825
tors. eta vs tors. theta energy: -52.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -717.789689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.789689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.789689 (E_RNA)
where:
Base-Base interactions energy: -490.557
where: short stacking energy: -202.771
Base-Backbone interact. energy: 1.142
local terms energy: -228.374588
where:
bonds (distance) C4'-P energy: -38.928
bonds (distance) P-C4' energy: -57.917
flat angles C4'-P-C4' energy: -56.983
flat angles P-C4'-P energy: -24.781
tors. eta vs tors. theta energy: -49.765
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: 7, replica: 7
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -708.592623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.592623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.592623 (E_RNA)
where:
Base-Base interactions energy: -479.891
where: short stacking energy: -200.162
Base-Backbone interact. energy: -1.589
local terms energy: -227.112891
where:
bonds (distance) C4'-P energy: -44.308
bonds (distance) P-C4' energy: -46.025
flat angles C4'-P-C4' energy: -55.665
flat angles P-C4'-P energy: -30.306
tors. eta vs tors. theta energy: -50.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -517.164443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.164443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.164443 (E_RNA)
where:
Base-Base interactions energy: -336.094
where: short stacking energy: -142.263
Base-Backbone interact. energy: -0.408
local terms energy: -180.662593
where:
bonds (distance) C4'-P energy: -47.722
bonds (distance) P-C4' energy: -48.563
flat angles C4'-P-C4' energy: -47.103
flat angles P-C4'-P energy: -16.595
tors. eta vs tors. theta energy: -20.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -421.982261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.982261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.982261 (E_RNA)
where:
Base-Base interactions energy: -261.467
where: short stacking energy: -123.702
Base-Backbone interact. energy: -1.058
local terms energy: -159.457157
where:
bonds (distance) C4'-P energy: -34.116
bonds (distance) P-C4' energy: -51.425
flat angles C4'-P-C4' energy: -34.352
flat angles P-C4'-P energy: -31.111
tors. eta vs tors. theta energy: -8.454
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: 10
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -302.328643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.328643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.328643 (E_RNA)
where:
Base-Base interactions energy: -130.084
where: short stacking energy: -80.372
Base-Backbone interact. energy: -1.598
local terms energy: -170.646336
where:
bonds (distance) C4'-P energy: -42.296
bonds (distance) P-C4' energy: -54.322
flat angles C4'-P-C4' energy: -31.836
flat angles P-C4'-P energy: -33.090
tors. eta vs tors. theta energy: -9.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -929.414990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.414990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.414990 (E_RNA)
where:
Base-Base interactions energy: -638.405
where: short stacking energy: -277.997
Base-Backbone interact. energy: -1.163
local terms energy: -289.847171
where:
bonds (distance) C4'-P energy: -55.142
bonds (distance) P-C4' energy: -55.856
flat angles C4'-P-C4' energy: -60.283
flat angles P-C4'-P energy: -39.061
tors. eta vs tors. theta energy: -79.505
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: 1
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -890.454210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.454210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.454210 (E_RNA)
where:
Base-Base interactions energy: -610.788
where: short stacking energy: -260.818
Base-Backbone interact. energy: -1.012
local terms energy: -278.654499
where:
bonds (distance) C4'-P energy: -42.127
bonds (distance) P-C4' energy: -57.352
flat angles C4'-P-C4' energy: -62.895
flat angles P-C4'-P energy: -37.906
tors. eta vs tors. theta energy: -78.374
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: 47
Temperature: 1.000000
Total energy: -874.437213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.437213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.437213 (E_RNA)
where:
Base-Base interactions energy: -615.554
where: short stacking energy: -272.457
Base-Backbone interact. energy: 2.614
local terms energy: -261.496428
where:
bonds (distance) C4'-P energy: -47.863
bonds (distance) P-C4' energy: -49.790
flat angles C4'-P-C4' energy: -54.903
flat angles P-C4'-P energy: -35.735
tors. eta vs tors. theta energy: -73.206
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: 4, replica: 2
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -791.281004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.281004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.281004 (E_RNA)
where:
Base-Base interactions energy: -543.264
where: short stacking energy: -242.322
Base-Backbone interact. energy: -0.995
local terms energy: -247.022552
where:
bonds (distance) C4'-P energy: -48.166
bonds (distance) P-C4' energy: -52.303
flat angles C4'-P-C4' energy: -50.065
flat angles P-C4'-P energy: -33.136
tors. eta vs tors. theta energy: -63.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -780.764388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.764388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.764388 (E_RNA)
where:
Base-Base interactions energy: -532.952
where: short stacking energy: -239.856
Base-Backbone interact. energy: -1.915
local terms energy: -245.897925
where:
bonds (distance) C4'-P energy: -28.727
bonds (distance) P-C4' energy: -51.276
flat angles C4'-P-C4' energy: -59.108
flat angles P-C4'-P energy: -41.626
tors. eta vs tors. theta energy: -65.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -727.141483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.141483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.141483 (E_RNA)
where:
Base-Base interactions energy: -507.955
where: short stacking energy: -213.337
Base-Backbone interact. energy: -0.872
local terms energy: -218.314677
where:
bonds (distance) C4'-P energy: -52.131
bonds (distance) P-C4' energy: -37.634
flat angles C4'-P-C4' energy: -45.083
flat angles P-C4'-P energy: -38.416
tors. eta vs tors. theta energy: -45.050
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: 7
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -653.636029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.636029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.636029 (E_RNA)
where:
Base-Base interactions energy: -427.014
where: short stacking energy: -190.795
Base-Backbone interact. energy: 0.224
local terms energy: -226.846349
where:
bonds (distance) C4'-P energy: -46.494
bonds (distance) P-C4' energy: -50.652
flat angles C4'-P-C4' energy: -50.575
flat angles P-C4'-P energy: -24.258
tors. eta vs tors. theta energy: -54.868
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: 8, replica: 8
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -580.836055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.836055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.836055 (E_RNA)
where:
Base-Base interactions energy: -387.885
where: short stacking energy: -177.183
Base-Backbone interact. energy: -0.805
local terms energy: -192.146666
where:
bonds (distance) C4'-P energy: -48.545
bonds (distance) P-C4' energy: -50.582
flat angles C4'-P-C4' energy: -45.509
flat angles P-C4'-P energy: -18.126
tors. eta vs tors. theta energy: -29.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -366.577804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.577804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.577804 (E_RNA)
where:
Base-Base interactions energy: -189.475
where: short stacking energy: -91.770
Base-Backbone interact. energy: -2.397
local terms energy: -174.705491
where:
bonds (distance) C4'-P energy: -36.765
bonds (distance) P-C4' energy: -46.206
flat angles C4'-P-C4' energy: -43.311
flat angles P-C4'-P energy: -33.928
tors. eta vs tors. theta energy: -14.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -314.341804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.341804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.341804 (E_RNA)
where:
Base-Base interactions energy: -182.656
where: short stacking energy: -109.938
Base-Backbone interact. energy: -0.685
local terms energy: -131.001445
where:
bonds (distance) C4'-P energy: -36.335
bonds (distance) P-C4' energy: -39.185
flat angles C4'-P-C4' energy: -34.055
flat angles P-C4'-P energy: -18.760
tors. eta vs tors. theta energy: -2.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -907.278225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.278225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.278225 (E_RNA)
where:
Base-Base interactions energy: -625.352
where: short stacking energy: -263.998
Base-Backbone interact. energy: -1.102
local terms energy: -280.824511
where:
bonds (distance) C4'-P energy: -56.261
bonds (distance) P-C4' energy: -52.902
flat angles C4'-P-C4' energy: -65.825
flat angles P-C4'-P energy: -35.218
tors. eta vs tors. theta energy: -70.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -906.974093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.974093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.974093 (E_RNA)
where:
Base-Base interactions energy: -631.727
where: short stacking energy: -276.834
Base-Backbone interact. energy: -1.312
local terms energy: -273.934691
where:
bonds (distance) C4'-P energy: -52.035
bonds (distance) P-C4' energy: -52.005
flat angles C4'-P-C4' energy: -60.309
flat angles P-C4'-P energy: -34.463
tors. eta vs tors. theta energy: -75.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -870.597257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.597257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.597257 (E_RNA)
where:
Base-Base interactions energy: -610.487
where: short stacking energy: -253.733
Base-Backbone interact. energy: -0.488
local terms energy: -259.622041
where:
bonds (distance) C4'-P energy: -49.994
bonds (distance) P-C4' energy: -51.374
flat angles C4'-P-C4' energy: -51.642
flat angles P-C4'-P energy: -32.077
tors. eta vs tors. theta energy: -74.534
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: 2
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -810.794656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.794656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.794656 (E_RNA)
where:
Base-Base interactions energy: -544.384
where: short stacking energy: -246.332
Base-Backbone interact. energy: 1.520
local terms energy: -267.930769
where:
bonds (distance) C4'-P energy: -53.902
bonds (distance) P-C4' energy: -50.377
flat angles C4'-P-C4' energy: -58.644
flat angles P-C4'-P energy: -34.462
tors. eta vs tors. theta energy: -70.546
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: 3
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -781.347768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.347768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.347768 (E_RNA)
where:
Base-Base interactions energy: -520.256
where: short stacking energy: -240.154
Base-Backbone interact. energy: -0.596
local terms energy: -260.496460
where:
bonds (distance) C4'-P energy: -48.005
bonds (distance) P-C4' energy: -39.190
flat angles C4'-P-C4' energy: -65.564
flat angles P-C4'-P energy: -40.598
tors. eta vs tors. theta energy: -67.139
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: 48
Temperature: 1.150000
Total energy: -744.036382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.036382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.036382 (E_RNA)
where:
Base-Base interactions energy: -501.414
where: short stacking energy: -205.708
Base-Backbone interact. energy: -2.393
local terms energy: -240.228707
where:
bonds (distance) C4'-P energy: -42.292
bonds (distance) P-C4' energy: -50.742
flat angles C4'-P-C4' energy: -49.231
flat angles P-C4'-P energy: -40.451
tors. eta vs tors. theta energy: -57.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -639.564059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.564059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.564059 (E_RNA)
where:
Base-Base interactions energy: -440.253
where: short stacking energy: -187.115
Base-Backbone interact. energy: -0.244
local terms energy: -199.067574
where:
bonds (distance) C4'-P energy: -48.080
bonds (distance) P-C4' energy: -45.181
flat angles C4'-P-C4' energy: -33.770
flat angles P-C4'-P energy: -27.163
tors. eta vs tors. theta energy: -44.873
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: 8, replica: 8
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -548.995235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.995235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.995235 (E_RNA)
where:
Base-Base interactions energy: -357.214
where: short stacking energy: -160.852
Base-Backbone interact. energy: -0.466
local terms energy: -191.315201
where:
bonds (distance) C4'-P energy: -42.138
bonds (distance) P-C4' energy: -43.525
flat angles C4'-P-C4' energy: -44.362
flat angles P-C4'-P energy: -27.538
tors. eta vs tors. theta energy: -33.752
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: 9
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -386.162213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.162213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.162213 (E_RNA)
where:
Base-Base interactions energy: -228.880
where: short stacking energy: -109.771
Base-Backbone interact. energy: 0.186
local terms energy: -157.468638
where:
bonds (distance) C4'-P energy: -29.447
bonds (distance) P-C4' energy: -45.743
flat angles C4'-P-C4' energy: -41.103
flat angles P-C4'-P energy: -30.786
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: 10, replica: 10
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -300.065911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.065911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.065911 (E_RNA)
where:
Base-Base interactions energy: -163.256
where: short stacking energy: -74.843
Base-Backbone interact. energy: 0.394
local terms energy: -137.204171
where:
bonds (distance) C4'-P energy: -38.523
bonds (distance) P-C4' energy: -46.129
flat angles C4'-P-C4' energy: -33.622
flat angles P-C4'-P energy: -17.800
tors. eta vs tors. theta energy: -1.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -921.034872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.034872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.034872 (E_RNA)
where:
Base-Base interactions energy: -650.445
where: short stacking energy: -279.479
Base-Backbone interact. energy: -1.258
local terms energy: -269.332347
where:
bonds (distance) C4'-P energy: -44.448
bonds (distance) P-C4' energy: -52.075
flat angles C4'-P-C4' energy: -53.758
flat angles P-C4'-P energy: -42.385
tors. eta vs tors. theta energy: -76.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -882.683803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.683803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.683803 (E_RNA)
where:
Base-Base interactions energy: -619.096
where: short stacking energy: -252.581
Base-Backbone interact. energy: -1.074
local terms energy: -262.514694
where:
bonds (distance) C4'-P energy: -47.067
bonds (distance) P-C4' energy: -55.029
flat angles C4'-P-C4' energy: -55.654
flat angles P-C4'-P energy: -37.247
tors. eta vs tors. theta energy: -67.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -892.787479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.787479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.787479 (E_RNA)
where:
Base-Base interactions energy: -618.815
where: short stacking energy: -271.688
Base-Backbone interact. energy: -1.867
local terms energy: -272.104607
where:
bonds (distance) C4'-P energy: -52.026
bonds (distance) P-C4' energy: -43.934
flat angles C4'-P-C4' energy: -62.691
flat angles P-C4'-P energy: -34.917
tors. eta vs tors. theta energy: -78.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -810.212988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.212988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.212988 (E_RNA)
where:
Base-Base interactions energy: -563.822
where: short stacking energy: -236.903
Base-Backbone interact. energy: -1.977
local terms energy: -244.413708
where:
bonds (distance) C4'-P energy: -49.599
bonds (distance) P-C4' energy: -52.513
flat angles C4'-P-C4' energy: -48.608
flat angles P-C4'-P energy: -32.137
tors. eta vs tors. theta energy: -61.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -790.277238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.277238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.277238 (E_RNA)
where:
Base-Base interactions energy: -551.154
where: short stacking energy: -242.306
Base-Backbone interact. energy: 2.647
local terms energy: -241.770117
where:
bonds (distance) C4'-P energy: -40.457
bonds (distance) P-C4' energy: -52.796
flat angles C4'-P-C4' energy: -57.014
flat angles P-C4'-P energy: -28.401
tors. eta vs tors. theta energy: -63.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -687.855043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.855043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.855043 (E_RNA)
where:
Base-Base interactions energy: -466.033
where: short stacking energy: -201.860
Base-Backbone interact. energy: -0.840
local terms energy: -220.982046
where:
bonds (distance) C4'-P energy: -51.834
bonds (distance) P-C4' energy: -48.089
flat angles C4'-P-C4' energy: -42.705
flat angles P-C4'-P energy: -33.219
tors. eta vs tors. theta energy: -45.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -661.550521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.550521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.550521 (E_RNA)
where:
Base-Base interactions energy: -450.807
where: short stacking energy: -199.347
Base-Backbone interact. energy: -0.832
local terms energy: -209.911065
where:
bonds (distance) C4'-P energy: -50.231
bonds (distance) P-C4' energy: -34.709
flat angles C4'-P-C4' energy: -42.997
flat angles P-C4'-P energy: -34.027
tors. eta vs tors. theta energy: -47.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -561.168613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.168613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.168613 (E_RNA)
where:
Base-Base interactions energy: -353.873
where: short stacking energy: -159.065
Base-Backbone interact. energy: 0.986
local terms energy: -208.281629
where:
bonds (distance) C4'-P energy: -41.193
bonds (distance) P-C4' energy: -43.215
flat angles C4'-P-C4' energy: -44.482
flat angles P-C4'-P energy: -37.652
tors. eta vs tors. theta energy: -41.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -375.992564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.992564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.992564 (E_RNA)
where:
Base-Base interactions energy: -196.378
where: short stacking energy: -104.449
Base-Backbone interact. energy: -1.736
local terms energy: -177.877987
where:
bonds (distance) C4'-P energy: -51.863
bonds (distance) P-C4' energy: -47.669
flat angles C4'-P-C4' energy: -36.384
flat angles P-C4'-P energy: -25.757
tors. eta vs tors. theta energy: -16.204
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: 10, replica: 10
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -288.012398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.012398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.012398 (E_RNA)
where:
Base-Base interactions energy: -147.086
where: short stacking energy: -79.005
Base-Backbone interact. energy: -1.893
local terms energy: -139.033848
where:
bonds (distance) C4'-P energy: -44.963
bonds (distance) P-C4' energy: -52.671
flat angles C4'-P-C4' energy: -37.407
flat angles P-C4'-P energy: -11.671
tors. eta vs tors. theta energy: 7.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -922.214738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.214738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.214738 (E_RNA)
where:
Base-Base interactions energy: -639.788
where: short stacking energy: -274.291
Base-Backbone interact. energy: -2.352
local terms energy: -280.074860
where:
bonds (distance) C4'-P energy: -49.344
bonds (distance) P-C4' energy: -57.147
flat angles C4'-P-C4' energy: -61.458
flat angles P-C4'-P energy: -38.239
tors. eta vs tors. theta energy: -73.888
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: 2, replica: 4
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -890.799204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.799204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.799204 (E_RNA)
where:
Base-Base interactions energy: -614.279
where: short stacking energy: -264.989
Base-Backbone interact. energy: -1.317
local terms energy: -275.203133
where:
bonds (distance) C4'-P energy: -49.169
bonds (distance) P-C4' energy: -52.868
flat angles C4'-P-C4' energy: -56.701
flat angles P-C4'-P energy: -42.003
tors. eta vs tors. theta energy: -74.462
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: 5
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -896.470601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.470601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.470601 (E_RNA)
where:
Base-Base interactions energy: -606.190
where: short stacking energy: -261.776
Base-Backbone interact. energy: -1.425
local terms energy: -288.855973
where:
bonds (distance) C4'-P energy: -56.049
bonds (distance) P-C4' energy: -57.761
flat angles C4'-P-C4' energy: -56.379
flat angles P-C4'-P energy: -42.944
tors. eta vs tors. theta energy: -75.723
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: 4, replica: 2
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -783.262923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.262923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.262923 (E_RNA)
where:
Base-Base interactions energy: -547.659
where: short stacking energy: -229.761
Base-Backbone interact. energy: 0.285
local terms energy: -235.888737
where:
bonds (distance) C4'-P energy: -40.214
bonds (distance) P-C4' energy: -50.458
flat angles C4'-P-C4' energy: -60.229
flat angles P-C4'-P energy: -29.633
tors. eta vs tors. theta energy: -55.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -800.585867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.585867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.585867 (E_RNA)
where:
Base-Base interactions energy: -541.871
where: short stacking energy: -251.353
Base-Backbone interact. energy: 0.138
local terms energy: -258.852256
where:
bonds (distance) C4'-P energy: -50.491
bonds (distance) P-C4' energy: -49.521
flat angles C4'-P-C4' energy: -50.494
flat angles P-C4'-P energy: -35.707
tors. eta vs tors. theta energy: -72.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -714.221270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.221270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.221270 (E_RNA)
where:
Base-Base interactions energy: -468.272
where: short stacking energy: -207.422
Base-Backbone interact. energy: -1.260
local terms energy: -244.689469
where:
bonds (distance) C4'-P energy: -47.693
bonds (distance) P-C4' energy: -52.828
flat angles C4'-P-C4' energy: -55.525
flat angles P-C4'-P energy: -32.675
tors. eta vs tors. theta energy: -55.968
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: 6
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -679.465026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.465026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.465026 (E_RNA)
where:
Base-Base interactions energy: -460.362
where: short stacking energy: -189.350
Base-Backbone interact. energy: -0.713
local terms energy: -218.389888
where:
bonds (distance) C4'-P energy: -47.522
bonds (distance) P-C4' energy: -47.801
flat angles C4'-P-C4' energy: -43.273
flat angles P-C4'-P energy: -33.767
tors. eta vs tors. theta energy: -46.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -579.117398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.117398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.117398 (E_RNA)
where:
Base-Base interactions energy: -380.276
where: short stacking energy: -169.628
Base-Backbone interact. energy: 5.399
local terms energy: -204.240361
where:
bonds (distance) C4'-P energy: -56.978
bonds (distance) P-C4' energy: -45.653
flat angles C4'-P-C4' energy: -39.603
flat angles P-C4'-P energy: -28.273
tors. eta vs tors. theta energy: -33.735
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: 9
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -388.476658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.476658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.476658 (E_RNA)
where:
Base-Base interactions energy: -216.457
where: short stacking energy: -116.459
Base-Backbone interact. energy: -1.473
local terms energy: -170.546568
where:
bonds (distance) C4'-P energy: -41.851
bonds (distance) P-C4' energy: -27.827
flat angles C4'-P-C4' energy: -53.709
flat angles P-C4'-P energy: -25.413
tors. eta vs tors. theta energy: -21.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -302.167216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.167216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.167216 (E_RNA)
where:
Base-Base interactions energy: -142.813
where: short stacking energy: -88.276
Base-Backbone interact. energy: -2.357
local terms energy: -156.997366
where:
bonds (distance) C4'-P energy: -45.799
bonds (distance) P-C4' energy: -49.638
flat angles C4'-P-C4' energy: -40.120
flat angles P-C4'-P energy: -25.258
tors. eta vs tors. theta energy: 3.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -926.128622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.128622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.128622 (E_RNA)
where:
Base-Base interactions energy: -645.858
where: short stacking energy: -278.537
Base-Backbone interact. energy: -0.816
local terms energy: -279.454780
where:
bonds (distance) C4'-P energy: -46.096
bonds (distance) P-C4' energy: -49.468
flat angles C4'-P-C4' energy: -61.459
flat angles P-C4'-P energy: -42.710
tors. eta vs tors. theta energy: -79.723
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: 4
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -899.482062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.482062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.482062 (E_RNA)
where:
Base-Base interactions energy: -619.417
where: short stacking energy: -263.819
Base-Backbone interact. energy: -0.171
local terms energy: -279.894499
where:
bonds (distance) C4'-P energy: -53.789
bonds (distance) P-C4' energy: -56.035
flat angles C4'-P-C4' energy: -58.350
flat angles P-C4'-P energy: -37.844
tors. eta vs tors. theta energy: -73.877
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: 51
Temperature: 1.000000
Total energy: -892.811529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.811529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.811529 (E_RNA)
where:
Base-Base interactions energy: -628.868
where: short stacking energy: -273.866
Base-Backbone interact. energy: -1.128
local terms energy: -262.816040
where:
bonds (distance) C4'-P energy: -48.352
bonds (distance) P-C4' energy: -48.056
flat angles C4'-P-C4' energy: -56.250
flat angles P-C4'-P energy: -40.460
tors. eta vs tors. theta energy: -69.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -807.503421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.503421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.503421 (E_RNA)
where:
Base-Base interactions energy: -555.130
where: short stacking energy: -245.409
Base-Backbone interact. energy: -1.046
local terms energy: -251.327036
where:
bonds (distance) C4'-P energy: -53.975
bonds (distance) P-C4' energy: -52.079
flat angles C4'-P-C4' energy: -52.345
flat angles P-C4'-P energy: -26.441
tors. eta vs tors. theta energy: -66.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -789.235698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.235698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.235698 (E_RNA)
where:
Base-Base interactions energy: -540.963
where: short stacking energy: -233.715
Base-Backbone interact. energy: -1.662
local terms energy: -246.611088
where:
bonds (distance) C4'-P energy: -51.254
bonds (distance) P-C4' energy: -48.473
flat angles C4'-P-C4' energy: -55.166
flat angles P-C4'-P energy: -29.559
tors. eta vs tors. theta energy: -62.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -697.303340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.303340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.303340 (E_RNA)
where:
Base-Base interactions energy: -461.779
where: short stacking energy: -204.272
Base-Backbone interact. energy: -1.444
local terms energy: -234.080571
where:
bonds (distance) C4'-P energy: -52.785
bonds (distance) P-C4' energy: -51.301
flat angles C4'-P-C4' energy: -39.922
flat angles P-C4'-P energy: -33.451
tors. eta vs tors. theta energy: -56.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -650.658285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.658285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.658285 (E_RNA)
where:
Base-Base interactions energy: -441.186
where: short stacking energy: -193.785
Base-Backbone interact. energy: -2.053
local terms energy: -207.419334
where:
bonds (distance) C4'-P energy: -41.437
bonds (distance) P-C4' energy: -44.879
flat angles C4'-P-C4' energy: -43.971
flat angles P-C4'-P energy: -28.310
tors. eta vs tors. theta energy: -48.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -546.500382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.500382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.500382 (E_RNA)
where:
Base-Base interactions energy: -369.811
where: short stacking energy: -161.116
Base-Backbone interact. energy: 2.832
local terms energy: -179.520963
where:
bonds (distance) C4'-P energy: -48.261
bonds (distance) P-C4' energy: -43.928
flat angles C4'-P-C4' energy: -39.030
flat angles P-C4'-P energy: -22.354
tors. eta vs tors. theta energy: -25.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -363.821292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.821292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.821292 (E_RNA)
where:
Base-Base interactions energy: -195.947
where: short stacking energy: -87.390
Base-Backbone interact. energy: -1.374
local terms energy: -166.500591
where:
bonds (distance) C4'-P energy: -51.297
bonds (distance) P-C4' energy: -41.868
flat angles C4'-P-C4' energy: -42.447
flat angles P-C4'-P energy: -26.075
tors. eta vs tors. theta energy: -4.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -286.999759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.999759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.999759 (E_RNA)
where:
Base-Base interactions energy: -135.102
where: short stacking energy: -79.663
Base-Backbone interact. energy: 1.547
local terms energy: -153.445231
where:
bonds (distance) C4'-P energy: -48.618
bonds (distance) P-C4' energy: -35.579
flat angles C4'-P-C4' energy: -46.622
flat angles P-C4'-P energy: -35.251
tors. eta vs tors. theta energy: 12.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -896.589350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.589350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.589350 (E_RNA)
where:
Base-Base interactions energy: -613.424
where: short stacking energy: -271.409
Base-Backbone interact. energy: -1.796
local terms energy: -281.369235
where:
bonds (distance) C4'-P energy: -54.423
bonds (distance) P-C4' energy: -53.891
flat angles C4'-P-C4' energy: -62.765
flat angles P-C4'-P energy: -40.773
tors. eta vs tors. theta energy: -69.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -890.137786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.137786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.137786 (E_RNA)
where:
Base-Base interactions energy: -617.256
where: short stacking energy: -269.319
Base-Backbone interact. energy: -1.534
local terms energy: -271.348394
where:
bonds (distance) C4'-P energy: -44.933
bonds (distance) P-C4' energy: -52.186
flat angles C4'-P-C4' energy: -56.726
flat angles P-C4'-P energy: -43.591
tors. eta vs tors. theta energy: -73.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -883.272114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.272114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.272114 (E_RNA)
where:
Base-Base interactions energy: -629.672
where: short stacking energy: -272.859
Base-Backbone interact. energy: -2.468
local terms energy: -251.131592
where:
bonds (distance) C4'-P energy: -40.136
bonds (distance) P-C4' energy: -45.418
flat angles C4'-P-C4' energy: -59.947
flat angles P-C4'-P energy: -31.679
tors. eta vs tors. theta energy: -73.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -822.997173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.997173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.997173 (E_RNA)
where:
Base-Base interactions energy: -568.905
where: short stacking energy: -254.787
Base-Backbone interact. energy: 0.045
local terms energy: -254.137675
where:
bonds (distance) C4'-P energy: -41.445
bonds (distance) P-C4' energy: -51.220
flat angles C4'-P-C4' energy: -53.017
flat angles P-C4'-P energy: -35.533
tors. eta vs tors. theta energy: -72.923
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: 2
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -807.409466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.409466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.409466 (E_RNA)
where:
Base-Base interactions energy: -564.680
where: short stacking energy: -247.625
Base-Backbone interact. energy: -2.455
local terms energy: -240.274552
where:
bonds (distance) C4'-P energy: -43.888
bonds (distance) P-C4' energy: -47.448
flat angles C4'-P-C4' energy: -53.709
flat angles P-C4'-P energy: -35.178
tors. eta vs tors. theta energy: -60.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -693.248283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.248283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.248283 (E_RNA)
where:
Base-Base interactions energy: -461.623
where: short stacking energy: -217.049
Base-Backbone interact. energy: -0.726
local terms energy: -230.899304
where:
bonds (distance) C4'-P energy: -48.209
bonds (distance) P-C4' energy: -44.331
flat angles C4'-P-C4' energy: -47.925
flat angles P-C4'-P energy: -38.391
tors. eta vs tors. theta energy: -52.043
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: 7, replica: 6
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -628.672653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.672653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.672653 (E_RNA)
where:
Base-Base interactions energy: -416.844
where: short stacking energy: -195.999
Base-Backbone interact. energy: -0.890
local terms energy: -210.938811
where:
bonds (distance) C4'-P energy: -45.950
bonds (distance) P-C4' energy: -39.600
flat angles C4'-P-C4' energy: -46.210
flat angles P-C4'-P energy: -29.497
tors. eta vs tors. theta energy: -49.682
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: 8
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -563.261960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.261960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.261960 (E_RNA)
where:
Base-Base interactions energy: -369.570
where: short stacking energy: -164.851
Base-Backbone interact. energy: 1.586
local terms energy: -195.277628
where:
bonds (distance) C4'-P energy: -43.121
bonds (distance) P-C4' energy: -47.939
flat angles C4'-P-C4' energy: -50.912
flat angles P-C4'-P energy: -20.095
tors. eta vs tors. theta energy: -33.211
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: 9
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -386.357567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.357567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.357567 (E_RNA)
where:
Base-Base interactions energy: -214.317
where: short stacking energy: -120.037
Base-Backbone interact. energy: 3.104
local terms energy: -175.144059
where:
bonds (distance) C4'-P energy: -50.761
bonds (distance) P-C4' energy: -46.813
flat angles C4'-P-C4' energy: -45.518
flat angles P-C4'-P energy: -6.390
tors. eta vs tors. theta energy: -25.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -296.803671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.803671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.803671 (E_RNA)
where:
Base-Base interactions energy: -133.848
where: short stacking energy: -81.344
Base-Backbone interact. energy: -0.132
local terms energy: -162.823647
where:
bonds (distance) C4'-P energy: -48.879
bonds (distance) P-C4' energy: -41.814
flat angles C4'-P-C4' energy: -36.569
flat angles P-C4'-P energy: -33.295
tors. eta vs tors. theta energy: -2.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -901.326635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.326635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.326635 (E_RNA)
where:
Base-Base interactions energy: -613.434
where: short stacking energy: -268.086
Base-Backbone interact. energy: 0.636
local terms energy: -288.529142
where:
bonds (distance) C4'-P energy: -55.543
bonds (distance) P-C4' energy: -53.356
flat angles C4'-P-C4' energy: -60.821
flat angles P-C4'-P energy: -44.956
tors. eta vs tors. theta energy: -73.852
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: 1
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -889.108486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.108486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.108486 (E_RNA)
where:
Base-Base interactions energy: -614.667
where: short stacking energy: -270.469
Base-Backbone interact. energy: -3.450
local terms energy: -270.990895
where:
bonds (distance) C4'-P energy: -45.826
bonds (distance) P-C4' energy: -44.460
flat angles C4'-P-C4' energy: -58.447
flat angles P-C4'-P energy: -47.713
tors. eta vs tors. theta energy: -74.545
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: 5
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -870.014988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.014988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.014988 (E_RNA)
where:
Base-Base interactions energy: -595.076
where: short stacking energy: -249.487
Base-Backbone interact. energy: -0.776
local terms energy: -274.163724
where:
bonds (distance) C4'-P energy: -51.652
bonds (distance) P-C4' energy: -53.965
flat angles C4'-P-C4' energy: -62.485
flat angles P-C4'-P energy: -45.401
tors. eta vs tors. theta energy: -60.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -792.625860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.625860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.625860 (E_RNA)
where:
Base-Base interactions energy: -557.571
where: short stacking energy: -228.081
Base-Backbone interact. energy: 0.339
local terms energy: -235.393705
where:
bonds (distance) C4'-P energy: -43.421
bonds (distance) P-C4' energy: -40.204
flat angles C4'-P-C4' energy: -50.261
flat angles P-C4'-P energy: -43.542
tors. eta vs tors. theta energy: -57.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -780.529569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.529569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.529569 (E_RNA)
where:
Base-Base interactions energy: -538.161
where: short stacking energy: -226.843
Base-Backbone interact. energy: 1.091
local terms energy: -243.459751
where:
bonds (distance) C4'-P energy: -51.152
bonds (distance) P-C4' energy: -41.219
flat angles C4'-P-C4' energy: -47.248
flat angles P-C4'-P energy: -37.399
tors. eta vs tors. theta energy: -66.442
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: 7
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -690.217422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.217422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.217422 (E_RNA)
where:
Base-Base interactions energy: -476.543
where: short stacking energy: -203.534
Base-Backbone interact. energy: -1.672
local terms energy: -212.002473
where:
bonds (distance) C4'-P energy: -45.744
bonds (distance) P-C4' energy: -50.892
flat angles C4'-P-C4' energy: -43.297
flat angles P-C4'-P energy: -29.003
tors. eta vs tors. theta energy: -43.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -610.595599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.595599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.595599 (E_RNA)
where:
Base-Base interactions energy: -420.602
where: short stacking energy: -175.107
Base-Backbone interact. energy: 1.447
local terms energy: -191.440511
where:
bonds (distance) C4'-P energy: -43.474
bonds (distance) P-C4' energy: -33.322
flat angles C4'-P-C4' energy: -43.772
flat angles P-C4'-P energy: -27.764
tors. eta vs tors. theta energy: -43.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -554.272025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.272025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.272025 (E_RNA)
where:
Base-Base interactions energy: -346.149
where: short stacking energy: -152.089
Base-Backbone interact. energy: -0.392
local terms energy: -207.730739
where:
bonds (distance) C4'-P energy: -41.567
bonds (distance) P-C4' energy: -49.493
flat angles C4'-P-C4' energy: -51.243
flat angles P-C4'-P energy: -25.482
tors. eta vs tors. theta energy: -39.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -448.122496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.122496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.122496 (E_RNA)
where:
Base-Base interactions energy: -278.408
where: short stacking energy: -141.484
Base-Backbone interact. energy: -0.502
local terms energy: -169.212542
where:
bonds (distance) C4'-P energy: -33.450
bonds (distance) P-C4' energy: -40.804
flat angles C4'-P-C4' energy: -45.522
flat angles P-C4'-P energy: -23.667
tors. eta vs tors. theta energy: -25.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -312.647483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.647483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.647483 (E_RNA)
where:
Base-Base interactions energy: -175.409
where: short stacking energy: -92.558
Base-Backbone interact. energy: 1.361
local terms energy: -138.598876
where:
bonds (distance) C4'-P energy: -38.286
bonds (distance) P-C4' energy: -41.962
flat angles C4'-P-C4' energy: -39.864
flat angles P-C4'-P energy: -25.115
tors. eta vs tors. theta energy: 6.628
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: 1
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -898.714213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.714213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.714213 (E_RNA)
where:
Base-Base interactions energy: -621.542
where: short stacking energy: -270.662
Base-Backbone interact. energy: -0.058
local terms energy: -277.114142
where:
bonds (distance) C4'-P energy: -49.258
bonds (distance) P-C4' energy: -58.313
flat angles C4'-P-C4' energy: -57.908
flat angles P-C4'-P energy: -37.933
tors. eta vs tors. theta energy: -73.702
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: 4
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -873.793927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.793927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.793927 (E_RNA)
where:
Base-Base interactions energy: -605.194
where: short stacking energy: -273.828
Base-Backbone interact. energy: -2.237
local terms energy: -266.363288
where:
bonds (distance) C4'-P energy: -54.408
bonds (distance) P-C4' energy: -56.651
flat angles C4'-P-C4' energy: -52.809
flat angles P-C4'-P energy: -34.967
tors. eta vs tors. theta energy: -67.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -858.607512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.607512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.607512 (E_RNA)
where:
Base-Base interactions energy: -606.086
where: short stacking energy: -246.129
Base-Backbone interact. energy: 1.402
local terms energy: -253.923365
where:
bonds (distance) C4'-P energy: -49.784
bonds (distance) P-C4' energy: -48.031
flat angles C4'-P-C4' energy: -51.901
flat angles P-C4'-P energy: -35.655
tors. eta vs tors. theta energy: -68.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -820.508603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.508603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.508603 (E_RNA)
where:
Base-Base interactions energy: -569.980
where: short stacking energy: -237.805
Base-Backbone interact. energy: 0.117
local terms energy: -250.646076
where:
bonds (distance) C4'-P energy: -43.692
bonds (distance) P-C4' energy: -51.732
flat angles C4'-P-C4' energy: -57.541
flat angles P-C4'-P energy: -37.460
tors. eta vs tors. theta energy: -60.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -785.669934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.669934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.669934 (E_RNA)
where:
Base-Base interactions energy: -530.727
where: short stacking energy: -217.827
Base-Backbone interact. energy: 0.017
local terms energy: -254.959553
where:
bonds (distance) C4'-P energy: -51.931
bonds (distance) P-C4' energy: -56.041
flat angles C4'-P-C4' energy: -55.266
flat angles P-C4'-P energy: -30.795
tors. eta vs tors. theta energy: -60.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -701.023291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.023291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.023291 (E_RNA)
where:
Base-Base interactions energy: -462.562
where: short stacking energy: -204.920
Base-Backbone interact. energy: 1.201
local terms energy: -239.662091
where:
bonds (distance) C4'-P energy: -54.050
bonds (distance) P-C4' energy: -48.089
flat angles C4'-P-C4' energy: -48.659
flat angles P-C4'-P energy: -38.137
tors. eta vs tors. theta energy: -50.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -660.409759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.409759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.409759 (E_RNA)
where:
Base-Base interactions energy: -433.923
where: short stacking energy: -183.582
Base-Backbone interact. energy: 2.578
local terms energy: -229.065203
where:
bonds (distance) C4'-P energy: -50.149
bonds (distance) P-C4' energy: -47.048
flat angles C4'-P-C4' energy: -50.722
flat angles P-C4'-P energy: -33.877
tors. eta vs tors. theta energy: -47.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -578.082489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.082489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.082489 (E_RNA)
where:
Base-Base interactions energy: -366.791
where: short stacking energy: -157.425
Base-Backbone interact. energy: -1.155
local terms energy: -210.136656
where:
bonds (distance) C4'-P energy: -44.050
bonds (distance) P-C4' energy: -45.667
flat angles C4'-P-C4' energy: -43.901
flat angles P-C4'-P energy: -32.868
tors. eta vs tors. theta energy: -43.651
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: 9
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -435.233064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.233064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.233064 (E_RNA)
where:
Base-Base interactions energy: -259.610
where: short stacking energy: -130.907
Base-Backbone interact. energy: 0.013
local terms energy: -175.635857
where:
bonds (distance) C4'-P energy: -43.559
bonds (distance) P-C4' energy: -45.784
flat angles C4'-P-C4' energy: -41.824
flat angles P-C4'-P energy: -22.196
tors. eta vs tors. theta energy: -22.273
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: 10
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -228.746919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.746919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.746919 (E_RNA)
where:
Base-Base interactions energy: -92.205
where: short stacking energy: -72.414
Base-Backbone interact. energy: 0.746
local terms energy: -137.288261
where:
bonds (distance) C4'-P energy: -46.322
bonds (distance) P-C4' energy: -38.494
flat angles C4'-P-C4' energy: -36.794
flat angles P-C4'-P energy: -23.988
tors. eta vs tors. theta energy: 8.309
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: 1, replica: 1
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -928.251585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.251585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.251585 (E_RNA)
where:
Base-Base interactions energy: -628.873
where: short stacking energy: -275.458
Base-Backbone interact. energy: -1.329
local terms energy: -298.050470
where:
bonds (distance) C4'-P energy: -51.188
bonds (distance) P-C4' energy: -57.332
flat angles C4'-P-C4' energy: -67.251
flat angles P-C4'-P energy: -48.053
tors. eta vs tors. theta energy: -74.225
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: 4
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -879.320903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.320903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.320903 (E_RNA)
where:
Base-Base interactions energy: -611.901
where: short stacking energy: -264.359
Base-Backbone interact. energy: -1.645
local terms energy: -265.774380
where:
bonds (distance) C4'-P energy: -53.609
bonds (distance) P-C4' energy: -47.755
flat angles C4'-P-C4' energy: -58.815
flat angles P-C4'-P energy: -40.192
tors. eta vs tors. theta energy: -65.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -836.155707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.155707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.155707 (E_RNA)
where:
Base-Base interactions energy: -579.932
where: short stacking energy: -235.995
Base-Backbone interact. energy: -0.859
local terms energy: -255.364462
where:
bonds (distance) C4'-P energy: -47.632
bonds (distance) P-C4' energy: -51.356
flat angles C4'-P-C4' energy: -48.447
flat angles P-C4'-P energy: -46.077
tors. eta vs tors. theta energy: -61.853
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: 3
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -856.371055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.371055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.371055 (E_RNA)
where:
Base-Base interactions energy: -583.856
where: short stacking energy: -254.352
Base-Backbone interact. energy: -1.851
local terms energy: -270.664257
where:
bonds (distance) C4'-P energy: -47.986
bonds (distance) P-C4' energy: -57.571
flat angles C4'-P-C4' energy: -56.236
flat angles P-C4'-P energy: -36.448
tors. eta vs tors. theta energy: -72.424
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: 5, replica: 2
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -792.602433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.602433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.602433 (E_RNA)
where:
Base-Base interactions energy: -562.786
where: short stacking energy: -228.584
Base-Backbone interact. energy: 0.215
local terms energy: -230.031001
where:
bonds (distance) C4'-P energy: -48.428
bonds (distance) P-C4' energy: -46.806
flat angles C4'-P-C4' energy: -44.639
flat angles P-C4'-P energy: -34.022
tors. eta vs tors. theta energy: -56.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -663.035831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.035831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.035831 (E_RNA)
where:
Base-Base interactions energy: -451.415
where: short stacking energy: -191.248
Base-Backbone interact. energy: -1.908
local terms energy: -209.712717
where:
bonds (distance) C4'-P energy: -45.313
bonds (distance) P-C4' energy: -39.945
flat angles C4'-P-C4' energy: -47.833
flat angles P-C4'-P energy: -31.731
tors. eta vs tors. theta energy: -44.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -646.498796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.498796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.498796 (E_RNA)
where:
Base-Base interactions energy: -446.969
where: short stacking energy: -185.873
Base-Backbone interact. energy: -0.391
local terms energy: -199.138362
where:
bonds (distance) C4'-P energy: -44.605
bonds (distance) P-C4' energy: -41.752
flat angles C4'-P-C4' energy: -43.444
flat angles P-C4'-P energy: -28.241
tors. eta vs tors. theta energy: -41.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -595.974914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.974914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.974914 (E_RNA)
where:
Base-Base interactions energy: -395.441
where: short stacking energy: -186.285
Base-Backbone interact. energy: 0.333
local terms energy: -200.867422
where:
bonds (distance) C4'-P energy: -49.763
bonds (distance) P-C4' energy: -40.028
flat angles C4'-P-C4' energy: -45.978
flat angles P-C4'-P energy: -27.664
tors. eta vs tors. theta energy: -37.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -473.750207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.750207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.750207 (E_RNA)
where:
Base-Base interactions energy: -319.589
where: short stacking energy: -126.340
Base-Backbone interact. energy: -0.703
local terms energy: -153.458196
where:
bonds (distance) C4'-P energy: -33.812
bonds (distance) P-C4' energy: -37.479
flat angles C4'-P-C4' energy: -43.579
flat angles P-C4'-P energy: -23.338
tors. eta vs tors. theta energy: -15.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -232.033195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.033195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.033195 (E_RNA)
where:
Base-Base interactions energy: -91.911
where: short stacking energy: -78.159
Base-Backbone interact. energy: -0.895
local terms energy: -139.227046
where:
bonds (distance) C4'-P energy: -52.100
bonds (distance) P-C4' energy: -41.661
flat angles C4'-P-C4' energy: -28.535
flat angles P-C4'-P energy: -20.640
tors. eta vs tors. theta energy: 3.709
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: 1
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -911.968812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.968812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.968812 (E_RNA)
where:
Base-Base interactions energy: -635.629
where: short stacking energy: -265.380
Base-Backbone interact. energy: -0.714
local terms energy: -275.625386
where:
bonds (distance) C4'-P energy: -52.504
bonds (distance) P-C4' energy: -41.787
flat angles C4'-P-C4' energy: -63.394
flat angles P-C4'-P energy: -41.957
tors. eta vs tors. theta energy: -75.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -880.769211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.769211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.769211 (E_RNA)
where:
Base-Base interactions energy: -610.070
where: short stacking energy: -262.553
Base-Backbone interact. energy: -2.570
local terms energy: -268.130031
where:
bonds (distance) C4'-P energy: -43.547
bonds (distance) P-C4' energy: -54.929
flat angles C4'-P-C4' energy: -55.210
flat angles P-C4'-P energy: -43.453
tors. eta vs tors. theta energy: -70.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -852.654041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.654041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.654041 (E_RNA)
where:
Base-Base interactions energy: -580.093
where: short stacking energy: -260.514
Base-Backbone interact. energy: -2.138
local terms energy: -270.422649
where:
bonds (distance) C4'-P energy: -47.807
bonds (distance) P-C4' energy: -58.783
flat angles C4'-P-C4' energy: -55.806
flat angles P-C4'-P energy: -33.932
tors. eta vs tors. theta energy: -74.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -813.922263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.922263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.922263 (E_RNA)
where:
Base-Base interactions energy: -560.035
where: short stacking energy: -237.745
Base-Backbone interact. energy: 0.031
local terms energy: -253.918475
where:
bonds (distance) C4'-P energy: -45.818
bonds (distance) P-C4' energy: -49.092
flat angles C4'-P-C4' energy: -58.334
flat angles P-C4'-P energy: -36.939
tors. eta vs tors. theta energy: -63.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -777.599080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.599080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.599080 (E_RNA)
where:
Base-Base interactions energy: -528.818
where: short stacking energy: -214.605
Base-Backbone interact. energy: -0.510
local terms energy: -248.271683
where:
bonds (distance) C4'-P energy: -47.159
bonds (distance) P-C4' energy: -49.856
flat angles C4'-P-C4' energy: -58.132
flat angles P-C4'-P energy: -40.951
tors. eta vs tors. theta energy: -52.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -639.132909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.132909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.132909 (E_RNA)
where:
Base-Base interactions energy: -417.759
where: short stacking energy: -184.370
Base-Backbone interact. energy: 0.166
local terms energy: -221.540063
where:
bonds (distance) C4'-P energy: -43.828
bonds (distance) P-C4' energy: -44.580
flat angles C4'-P-C4' energy: -51.277
flat angles P-C4'-P energy: -34.763
tors. eta vs tors. theta energy: -47.093
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: 7
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -654.003369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.003369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.003369 (E_RNA)
where:
Base-Base interactions energy: -429.571
where: short stacking energy: -179.346
Base-Backbone interact. energy: -0.401
local terms energy: -224.030789
where:
bonds (distance) C4'-P energy: -37.046
bonds (distance) P-C4' energy: -46.304
flat angles C4'-P-C4' energy: -53.303
flat angles P-C4'-P energy: -39.026
tors. eta vs tors. theta energy: -48.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -587.819590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.819590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.819590 (E_RNA)
where:
Base-Base interactions energy: -401.690
where: short stacking energy: -168.119
Base-Backbone interact. energy: 2.592
local terms energy: -188.722031
where:
bonds (distance) C4'-P energy: -41.925
bonds (distance) P-C4' energy: -51.718
flat angles C4'-P-C4' energy: -34.338
flat angles P-C4'-P energy: -28.740
tors. eta vs tors. theta energy: -32.002
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: 9, replica: 9
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -492.922566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.922566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.922566 (E_RNA)
where:
Base-Base interactions energy: -321.495
where: short stacking energy: -151.500
Base-Backbone interact. energy: 0.094
local terms energy: -171.521496
where:
bonds (distance) C4'-P energy: -44.312
bonds (distance) P-C4' energy: -44.535
flat angles C4'-P-C4' energy: -43.287
flat angles P-C4'-P energy: -16.825
tors. eta vs tors. theta energy: -22.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -248.591300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.591300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.591300 (E_RNA)
where:
Base-Base interactions energy: -111.658
where: short stacking energy: -79.055
Base-Backbone interact. energy: -0.292
local terms energy: -136.641368
where:
bonds (distance) C4'-P energy: -45.776
bonds (distance) P-C4' energy: -43.696
flat angles C4'-P-C4' energy: -41.086
flat angles P-C4'-P energy: -9.867
tors. eta vs tors. theta energy: 3.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -913.446169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.446169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.446169 (E_RNA)
where:
Base-Base interactions energy: -635.042
where: short stacking energy: -267.448
Base-Backbone interact. energy: -0.604
local terms energy: -277.799961
where:
bonds (distance) C4'-P energy: -51.414
bonds (distance) P-C4' energy: -57.035
flat angles C4'-P-C4' energy: -60.114
flat angles P-C4'-P energy: -36.825
tors. eta vs tors. theta energy: -72.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -893.620492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.620492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.620492 (E_RNA)
where:
Base-Base interactions energy: -615.073
where: short stacking energy: -277.638
Base-Backbone interact. energy: -1.240
local terms energy: -277.307554
where:
bonds (distance) C4'-P energy: -55.156
bonds (distance) P-C4' energy: -47.070
flat angles C4'-P-C4' energy: -61.536
flat angles P-C4'-P energy: -38.155
tors. eta vs tors. theta energy: -75.391
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: 4
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -872.911261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.911261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.911261 (E_RNA)
where:
Base-Base interactions energy: -595.750
where: short stacking energy: -254.802
Base-Backbone interact. energy: -1.218
local terms energy: -275.942959
where:
bonds (distance) C4'-P energy: -54.206
bonds (distance) P-C4' energy: -50.854
flat angles C4'-P-C4' energy: -56.103
flat angles P-C4'-P energy: -47.968
tors. eta vs tors. theta energy: -66.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -837.215891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.215891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.215891 (E_RNA)
where:
Base-Base interactions energy: -574.399
where: short stacking energy: -245.058
Base-Backbone interact. energy: -0.755
local terms energy: -262.062004
where:
bonds (distance) C4'-P energy: -48.080
bonds (distance) P-C4' energy: -50.912
flat angles C4'-P-C4' energy: -61.604
flat angles P-C4'-P energy: -34.171
tors. eta vs tors. theta energy: -67.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -748.385821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.385821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.385821 (E_RNA)
where:
Base-Base interactions energy: -518.154
where: short stacking energy: -227.729
Base-Backbone interact. energy: 4.889
local terms energy: -235.121239
where:
bonds (distance) C4'-P energy: -47.886
bonds (distance) P-C4' energy: -51.556
flat angles C4'-P-C4' energy: -49.133
flat angles P-C4'-P energy: -26.705
tors. eta vs tors. theta energy: -59.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -667.184295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.184295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.184295 (E_RNA)
where:
Base-Base interactions energy: -452.079
where: short stacking energy: -203.350
Base-Backbone interact. energy: -0.998
local terms energy: -214.107371
where:
bonds (distance) C4'-P energy: -48.437
bonds (distance) P-C4' energy: -37.815
flat angles C4'-P-C4' energy: -50.931
flat angles P-C4'-P energy: -27.372
tors. eta vs tors. theta energy: -49.553
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: 7, replica: 6
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -674.025851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.025851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.025851 (E_RNA)
where:
Base-Base interactions energy: -449.717
where: short stacking energy: -198.767
Base-Backbone interact. energy: -0.235
local terms energy: -224.074149
where:
bonds (distance) C4'-P energy: -47.792
bonds (distance) P-C4' energy: -46.898
flat angles C4'-P-C4' energy: -47.674
flat angles P-C4'-P energy: -31.294
tors. eta vs tors. theta energy: -50.416
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: 8, replica: 8
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -584.364435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.364435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.364435 (E_RNA)
where:
Base-Base interactions energy: -379.281
where: short stacking energy: -165.546
Base-Backbone interact. energy: 0.304
local terms energy: -205.387056
where:
bonds (distance) C4'-P energy: -40.076
bonds (distance) P-C4' energy: -44.176
flat angles C4'-P-C4' energy: -46.989
flat angles P-C4'-P energy: -37.840
tors. eta vs tors. theta energy: -36.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -414.813136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.813136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.813136 (E_RNA)
where:
Base-Base interactions energy: -234.511
where: short stacking energy: -110.898
Base-Backbone interact. energy: 0.947
local terms energy: -181.249255
where:
bonds (distance) C4'-P energy: -48.004
bonds (distance) P-C4' energy: -49.168
flat angles C4'-P-C4' energy: -46.813
flat angles P-C4'-P energy: -28.816
tors. eta vs tors. theta energy: -8.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -232.611250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.611250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.611250 (E_RNA)
where:
Base-Base interactions energy: -81.804
where: short stacking energy: -66.780
Base-Backbone interact. energy: -1.694
local terms energy: -149.113462
where:
bonds (distance) C4'-P energy: -47.950
bonds (distance) P-C4' energy: -51.471
flat angles C4'-P-C4' energy: -37.263
flat angles P-C4'-P energy: -17.097
tors. eta vs tors. theta energy: 4.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -932.674049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.674049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.674049 (E_RNA)
where:
Base-Base interactions energy: -648.961
where: short stacking energy: -278.635
Base-Backbone interact. energy: -1.999
local terms energy: -281.713793
where:
bonds (distance) C4'-P energy: -50.450
bonds (distance) P-C4' energy: -55.315
flat angles C4'-P-C4' energy: -57.584
flat angles P-C4'-P energy: -42.016
tors. eta vs tors. theta energy: -76.349
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: 2, replica: 3
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -881.865522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.865522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.865522 (E_RNA)
where:
Base-Base interactions energy: -616.736
where: short stacking energy: -268.545
Base-Backbone interact. energy: -1.681
local terms energy: -263.448910
where:
bonds (distance) C4'-P energy: -46.356
bonds (distance) P-C4' energy: -52.478
flat angles C4'-P-C4' energy: -51.030
flat angles P-C4'-P energy: -39.509
tors. eta vs tors. theta energy: -74.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -836.291097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.291097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.291097 (E_RNA)
where:
Base-Base interactions energy: -585.418
where: short stacking energy: -248.961
Base-Backbone interact. energy: -1.380
local terms energy: -249.493796
where:
bonds (distance) C4'-P energy: -41.727
bonds (distance) P-C4' energy: -53.987
flat angles C4'-P-C4' energy: -54.660
flat angles P-C4'-P energy: -31.611
tors. eta vs tors. theta energy: -67.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -853.383724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.383724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.383724 (E_RNA)
where:
Base-Base interactions energy: -592.532
where: short stacking energy: -257.478
Base-Backbone interact. energy: 1.113
local terms energy: -261.965341
where:
bonds (distance) C4'-P energy: -53.305
bonds (distance) P-C4' energy: -38.770
flat angles C4'-P-C4' energy: -61.140
flat angles P-C4'-P energy: -36.218
tors. eta vs tors. theta energy: -72.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -764.001768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.001768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.001768 (E_RNA)
where:
Base-Base interactions energy: -528.908
where: short stacking energy: -224.130
Base-Backbone interact. energy: -0.022
local terms energy: -235.071691
where:
bonds (distance) C4'-P energy: -36.511
bonds (distance) P-C4' energy: -51.174
flat angles C4'-P-C4' energy: -45.414
flat angles P-C4'-P energy: -39.259
tors. eta vs tors. theta energy: -62.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -680.338375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.338375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.338375 (E_RNA)
where:
Base-Base interactions energy: -456.046
where: short stacking energy: -197.768
Base-Backbone interact. energy: 0.886
local terms energy: -225.178406
where:
bonds (distance) C4'-P energy: -47.717
bonds (distance) P-C4' energy: -58.589
flat angles C4'-P-C4' energy: -42.137
flat angles P-C4'-P energy: -31.530
tors. eta vs tors. theta energy: -45.205
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: 7, replica: 6
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -630.279788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.279788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.279788 (E_RNA)
where:
Base-Base interactions energy: -416.942
where: short stacking energy: -178.782
Base-Backbone interact. energy: 0.029
local terms energy: -213.367450
where:
bonds (distance) C4'-P energy: -45.679
bonds (distance) P-C4' energy: -34.462
flat angles C4'-P-C4' energy: -54.803
flat angles P-C4'-P energy: -36.520
tors. eta vs tors. theta energy: -41.903
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: 8
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -554.441862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.441862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.441862 (E_RNA)
where:
Base-Base interactions energy: -347.834
where: short stacking energy: -162.795
Base-Backbone interact. energy: 2.214
local terms energy: -208.821602
where:
bonds (distance) C4'-P energy: -45.010
bonds (distance) P-C4' energy: -57.521
flat angles C4'-P-C4' energy: -47.587
flat angles P-C4'-P energy: -24.402
tors. eta vs tors. theta energy: -34.302
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: 9, replica: 9
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -404.983292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.983292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.983292 (E_RNA)
where:
Base-Base interactions energy: -241.339
where: short stacking energy: -125.824
Base-Backbone interact. energy: -1.059
local terms energy: -162.585463
where:
bonds (distance) C4'-P energy: -46.166
bonds (distance) P-C4' energy: -47.461
flat angles C4'-P-C4' energy: -38.230
flat angles P-C4'-P energy: -23.886
tors. eta vs tors. theta energy: -6.842
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: 10, replica: 10
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -220.473093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.473093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.473093 (E_RNA)
where:
Base-Base interactions energy: -75.970
where: short stacking energy: -71.339
Base-Backbone interact. energy: -0.155
local terms energy: -144.348327
where:
bonds (distance) C4'-P energy: -31.883
bonds (distance) P-C4' energy: -51.213
flat angles C4'-P-C4' energy: -41.338
flat angles P-C4'-P energy: -27.563
tors. eta vs tors. theta energy: 7.649
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: 1, replica: 1
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -930.223482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.223482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.223482 (E_RNA)
where:
Base-Base interactions energy: -652.668
where: short stacking energy: -282.877
Base-Backbone interact. energy: -0.046
local terms energy: -277.509470
where:
bonds (distance) C4'-P energy: -48.673
bonds (distance) P-C4' energy: -51.055
flat angles C4'-P-C4' energy: -62.265
flat angles P-C4'-P energy: -38.804
tors. eta vs tors. theta energy: -76.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -899.679729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.679729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.679729 (E_RNA)
where:
Base-Base interactions energy: -615.742
where: short stacking energy: -278.511
Base-Backbone interact. energy: -1.037
local terms energy: -282.900922
where:
bonds (distance) C4'-P energy: -49.552
bonds (distance) P-C4' energy: -50.282
flat angles C4'-P-C4' energy: -61.285
flat angles P-C4'-P energy: -44.501
tors. eta vs tors. theta energy: -77.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -840.377445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.377445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.377445 (E_RNA)
where:
Base-Base interactions energy: -573.201
where: short stacking energy: -256.928
Base-Backbone interact. energy: -0.351
local terms energy: -266.825301
where:
bonds (distance) C4'-P energy: -46.411
bonds (distance) P-C4' energy: -51.869
flat angles C4'-P-C4' energy: -54.921
flat angles P-C4'-P energy: -40.301
tors. eta vs tors. theta energy: -73.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -831.437211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.437211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.437211 (E_RNA)
where:
Base-Base interactions energy: -583.027
where: short stacking energy: -248.733
Base-Backbone interact. energy: -1.370
local terms energy: -247.040460
where:
bonds (distance) C4'-P energy: -43.377
bonds (distance) P-C4' energy: -52.336
flat angles C4'-P-C4' energy: -52.267
flat angles P-C4'-P energy: -32.659
tors. eta vs tors. theta energy: -66.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -759.527518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.527518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.527518 (E_RNA)
where:
Base-Base interactions energy: -489.710
where: short stacking energy: -212.015
Base-Backbone interact. energy: -1.949
local terms energy: -267.868973
where:
bonds (distance) C4'-P energy: -52.293
bonds (distance) P-C4' energy: -54.725
flat angles C4'-P-C4' energy: -56.397
flat angles P-C4'-P energy: -47.276
tors. eta vs tors. theta energy: -57.178
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: 7
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -690.036645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.036645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.036645 (E_RNA)
where:
Base-Base interactions energy: -473.065
where: short stacking energy: -207.612
Base-Backbone interact. energy: -0.928
local terms energy: -216.044278
where:
bonds (distance) C4'-P energy: -47.599
bonds (distance) P-C4' energy: -49.133
flat angles C4'-P-C4' energy: -42.109
flat angles P-C4'-P energy: -28.995
tors. eta vs tors. theta energy: -48.209
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: 6
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -628.064134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.064134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.064134 (E_RNA)
where:
Base-Base interactions energy: -412.552
where: short stacking energy: -180.179
Base-Backbone interact. energy: -1.540
local terms energy: -213.971596
where:
bonds (distance) C4'-P energy: -42.294
bonds (distance) P-C4' energy: -51.549
flat angles C4'-P-C4' energy: -47.240
flat angles P-C4'-P energy: -32.760
tors. eta vs tors. theta energy: -40.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -580.102639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.102639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.102639 (E_RNA)
where:
Base-Base interactions energy: -380.407
where: short stacking energy: -153.294
Base-Backbone interact. energy: 1.494
local terms energy: -201.190171
where:
bonds (distance) C4'-P energy: -42.891
bonds (distance) P-C4' energy: -47.716
flat angles C4'-P-C4' energy: -41.870
flat angles P-C4'-P energy: -29.609
tors. eta vs tors. theta energy: -39.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -417.551710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.551710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.551710 (E_RNA)
where:
Base-Base interactions energy: -249.339
where: short stacking energy: -121.119
Base-Backbone interact. energy: 3.585
local terms energy: -171.797015
where:
bonds (distance) C4'-P energy: -38.046
bonds (distance) P-C4' energy: -49.972
flat angles C4'-P-C4' energy: -44.092
flat angles P-C4'-P energy: -21.486
tors. eta vs tors. theta energy: -18.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -229.850177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.850177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.850177 (E_RNA)
where:
Base-Base interactions energy: -85.193
where: short stacking energy: -65.233
Base-Backbone interact. energy: 1.460
local terms energy: -146.116787
where:
bonds (distance) C4'-P energy: -41.353
bonds (distance) P-C4' energy: -51.605
flat angles C4'-P-C4' energy: -33.901
flat angles P-C4'-P energy: -20.358
tors. eta vs tors. theta energy: 1.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -914.329371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.329371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.329371 (E_RNA)
where:
Base-Base interactions energy: -644.802
where: short stacking energy: -276.160
Base-Backbone interact. energy: 0.904
local terms energy: -270.431369
where:
bonds (distance) C4'-P energy: -42.022
bonds (distance) P-C4' energy: -55.893
flat angles C4'-P-C4' energy: -53.698
flat angles P-C4'-P energy: -38.920
tors. eta vs tors. theta energy: -79.898
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: 3
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -894.307225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.307225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.307225 (E_RNA)
where:
Base-Base interactions energy: -615.061
where: short stacking energy: -277.613
Base-Backbone interact. energy: -0.913
local terms energy: -278.332828
where:
bonds (distance) C4'-P energy: -52.800
bonds (distance) P-C4' energy: -53.794
flat angles C4'-P-C4' energy: -52.902
flat angles P-C4'-P energy: -40.161
tors. eta vs tors. theta energy: -78.676
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: 4
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -854.425427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.425427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.425427 (E_RNA)
where:
Base-Base interactions energy: -594.956
where: short stacking energy: -253.779
Base-Backbone interact. energy: -1.646
local terms energy: -257.823320
where:
bonds (distance) C4'-P energy: -50.989
bonds (distance) P-C4' energy: -52.256
flat angles C4'-P-C4' energy: -45.776
flat angles P-C4'-P energy: -36.323
tors. eta vs tors. theta energy: -72.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -835.972998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.972998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.972998 (E_RNA)
where:
Base-Base interactions energy: -574.487
where: short stacking energy: -245.623
Base-Backbone interact. energy: 0.628
local terms energy: -262.113821
where:
bonds (distance) C4'-P energy: -54.703
bonds (distance) P-C4' energy: -44.681
flat angles C4'-P-C4' energy: -52.919
flat angles P-C4'-P energy: -39.472
tors. eta vs tors. theta energy: -70.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -757.654348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.654348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.654348 (E_RNA)
where:
Base-Base interactions energy: -503.428
where: short stacking energy: -223.249
Base-Backbone interact. energy: -0.427
local terms energy: -253.799000
where:
bonds (distance) C4'-P energy: -58.094
bonds (distance) P-C4' energy: -46.426
flat angles C4'-P-C4' energy: -57.556
flat angles P-C4'-P energy: -34.946
tors. eta vs tors. theta energy: -56.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -696.985476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.985476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.985476 (E_RNA)
where:
Base-Base interactions energy: -467.690
where: short stacking energy: -199.813
Base-Backbone interact. energy: 5.452
local terms energy: -234.746659
where:
bonds (distance) C4'-P energy: -52.912
bonds (distance) P-C4' energy: -49.274
flat angles C4'-P-C4' energy: -50.884
flat angles P-C4'-P energy: -25.569
tors. eta vs tors. theta energy: -56.108
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: 6
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -681.625670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.625670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.625670 (E_RNA)
where:
Base-Base interactions energy: -465.597
where: short stacking energy: -198.192
Base-Backbone interact. energy: -0.881
local terms energy: -215.147729
where:
bonds (distance) C4'-P energy: -42.452
bonds (distance) P-C4' energy: -44.550
flat angles C4'-P-C4' energy: -43.037
flat angles P-C4'-P energy: -32.095
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: 8, replica: 8
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -569.218306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.218306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.218306 (E_RNA)
where:
Base-Base interactions energy: -370.484
where: short stacking energy: -162.977
Base-Backbone interact. energy: 1.120
local terms energy: -199.854323
where:
bonds (distance) C4'-P energy: -42.423
bonds (distance) P-C4' energy: -34.702
flat angles C4'-P-C4' energy: -49.362
flat angles P-C4'-P energy: -31.435
tors. eta vs tors. theta energy: -41.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -449.590740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.590740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.590740 (E_RNA)
where:
Base-Base interactions energy: -270.496
where: short stacking energy: -132.374
Base-Backbone interact. energy: 6.160
local terms energy: -185.254335
where:
bonds (distance) C4'-P energy: -43.617
bonds (distance) P-C4' energy: -48.550
flat angles C4'-P-C4' energy: -43.434
flat angles P-C4'-P energy: -23.853
tors. eta vs tors. theta energy: -25.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -226.173056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.173056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.173056 (E_RNA)
where:
Base-Base interactions energy: -79.081
where: short stacking energy: -75.656
Base-Backbone interact. energy: -2.683
local terms energy: -144.408602
where:
bonds (distance) C4'-P energy: -40.712
bonds (distance) P-C4' energy: -49.434
flat angles C4'-P-C4' energy: -30.081
flat angles P-C4'-P energy: -19.326
tors. eta vs tors. theta energy: -4.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -916.614063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.614063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.614063 (E_RNA)
where:
Base-Base interactions energy: -638.821
where: short stacking energy: -284.958
Base-Backbone interact. energy: -0.960
local terms energy: -276.833063
where:
bonds (distance) C4'-P energy: -50.878
bonds (distance) P-C4' energy: -59.017
flat angles C4'-P-C4' energy: -55.752
flat angles P-C4'-P energy: -40.966
tors. eta vs tors. theta energy: -70.220
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: 3
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -885.647201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.647201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.647201 (E_RNA)
where:
Base-Base interactions energy: -593.584
where: short stacking energy: -260.791
Base-Backbone interact. energy: -0.777
local terms energy: -291.286936
where:
bonds (distance) C4'-P energy: -53.761
bonds (distance) P-C4' energy: -54.403
flat angles C4'-P-C4' energy: -55.439
flat angles P-C4'-P energy: -48.087
tors. eta vs tors. theta energy: -79.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -868.566981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.566981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.566981 (E_RNA)
where:
Base-Base interactions energy: -595.742
where: short stacking energy: -242.569
Base-Backbone interact. energy: -0.609
local terms energy: -272.215905
where:
bonds (distance) C4'-P energy: -55.200
bonds (distance) P-C4' energy: -49.664
flat angles C4'-P-C4' energy: -63.748
flat angles P-C4'-P energy: -30.776
tors. eta vs tors. theta energy: -72.827
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: 5
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -841.211959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.211959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.211959 (E_RNA)
where:
Base-Base interactions energy: -574.322
where: short stacking energy: -254.998
Base-Backbone interact. energy: -1.140
local terms energy: -265.750571
where:
bonds (distance) C4'-P energy: -58.046
bonds (distance) P-C4' energy: -47.593
flat angles C4'-P-C4' energy: -56.032
flat angles P-C4'-P energy: -37.346
tors. eta vs tors. theta energy: -66.733
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: 2
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -748.859875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.859875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.859875 (E_RNA)
where:
Base-Base interactions energy: -516.202
where: short stacking energy: -203.643
Base-Backbone interact. energy: -1.685
local terms energy: -230.972837
where:
bonds (distance) C4'-P energy: -45.983
bonds (distance) P-C4' energy: -48.870
flat angles C4'-P-C4' energy: -50.337
flat angles P-C4'-P energy: -31.048
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: 6, replica: 7
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -665.143881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.143881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.143881 (E_RNA)
where:
Base-Base interactions energy: -450.174
where: short stacking energy: -194.786
Base-Backbone interact. energy: 1.075
local terms energy: -216.045595
where:
bonds (distance) C4'-P energy: -43.868
bonds (distance) P-C4' energy: -48.895
flat angles C4'-P-C4' energy: -45.342
flat angles P-C4'-P energy: -35.866
tors. eta vs tors. theta energy: -42.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -645.164209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.164209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.164209 (E_RNA)
where:
Base-Base interactions energy: -426.791
where: short stacking energy: -177.117
Base-Backbone interact. energy: -0.374
local terms energy: -217.999689
where:
bonds (distance) C4'-P energy: -54.569
bonds (distance) P-C4' energy: -45.163
flat angles C4'-P-C4' energy: -48.165
flat angles P-C4'-P energy: -29.008
tors. eta vs tors. theta energy: -41.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -572.644805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.644805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.644805 (E_RNA)
where:
Base-Base interactions energy: -364.478
where: short stacking energy: -157.431
Base-Backbone interact. energy: -0.344
local terms energy: -207.822351
where:
bonds (distance) C4'-P energy: -46.900
bonds (distance) P-C4' energy: -47.091
flat angles C4'-P-C4' energy: -53.497
flat angles P-C4'-P energy: -33.726
tors. eta vs tors. theta energy: -26.609
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: 9
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -498.291642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.291642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.291642 (E_RNA)
where:
Base-Base interactions energy: -314.495
where: short stacking energy: -131.911
Base-Backbone interact. energy: -1.314
local terms energy: -182.482302
where:
bonds (distance) C4'-P energy: -44.665
bonds (distance) P-C4' energy: -53.819
flat angles C4'-P-C4' energy: -48.956
flat angles P-C4'-P energy: -9.489
tors. eta vs tors. theta energy: -25.552
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: 10, replica: 10
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -219.707167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.707167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.707167 (E_RNA)
where:
Base-Base interactions energy: -66.455
where: short stacking energy: -62.106
Base-Backbone interact. energy: -0.234
local terms energy: -153.017811
where:
bonds (distance) C4'-P energy: -57.577
bonds (distance) P-C4' energy: -42.472
flat angles C4'-P-C4' energy: -38.360
flat angles P-C4'-P energy: -17.379
tors. eta vs tors. theta energy: 2.770
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: 3
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -905.006162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.006162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.006162 (E_RNA)
where:
Base-Base interactions energy: -614.709
where: short stacking energy: -260.694
Base-Backbone interact. energy: -2.330
local terms energy: -287.967053
where:
bonds (distance) C4'-P energy: -54.762
bonds (distance) P-C4' energy: -58.423
flat angles C4'-P-C4' energy: -63.847
flat angles P-C4'-P energy: -38.784
tors. eta vs tors. theta energy: -72.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -885.314466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.314466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.314466 (E_RNA)
where:
Base-Base interactions energy: -618.521
where: short stacking energy: -255.806
Base-Backbone interact. energy: -0.220
local terms energy: -266.573345
where:
bonds (distance) C4'-P energy: -50.395
bonds (distance) P-C4' energy: -48.953
flat angles C4'-P-C4' energy: -59.837
flat angles P-C4'-P energy: -30.660
tors. eta vs tors. theta energy: -76.729
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: 3, replica: 4
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -879.861412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.861412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.861412 (E_RNA)
where:
Base-Base interactions energy: -617.947
where: short stacking energy: -259.482
Base-Backbone interact. energy: -0.809
local terms energy: -261.105459
where:
bonds (distance) C4'-P energy: -46.037
bonds (distance) P-C4' energy: -55.834
flat angles C4'-P-C4' energy: -55.172
flat angles P-C4'-P energy: -35.607
tors. eta vs tors. theta energy: -68.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -846.840719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.840719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.840719 (E_RNA)
where:
Base-Base interactions energy: -582.954
where: short stacking energy: -245.740
Base-Backbone interact. energy: -0.558
local terms energy: -263.328088
where:
bonds (distance) C4'-P energy: -52.232
bonds (distance) P-C4' energy: -46.837
flat angles C4'-P-C4' energy: -57.415
flat angles P-C4'-P energy: -40.588
tors. eta vs tors. theta energy: -66.256
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: 2
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -766.506758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.506758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.506758 (E_RNA)
where:
Base-Base interactions energy: -531.476
where: short stacking energy: -226.400
Base-Backbone interact. energy: 0.205
local terms energy: -235.236432
where:
bonds (distance) C4'-P energy: -37.215
bonds (distance) P-C4' energy: -47.315
flat angles C4'-P-C4' energy: -54.633
flat angles P-C4'-P energy: -37.925
tors. eta vs tors. theta energy: -58.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -677.229740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.229740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.229740 (E_RNA)
where:
Base-Base interactions energy: -465.454
where: short stacking energy: -199.940
Base-Backbone interact. energy: -0.739
local terms energy: -211.037084
where:
bonds (distance) C4'-P energy: -48.385
bonds (distance) P-C4' energy: -45.231
flat angles C4'-P-C4' energy: -37.082
flat angles P-C4'-P energy: -33.342
tors. eta vs tors. theta energy: -46.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -642.157439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.157439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.157439 (E_RNA)
where:
Base-Base interactions energy: -429.680
where: short stacking energy: -191.328
Base-Backbone interact. energy: -0.585
local terms energy: -211.892599
where:
bonds (distance) C4'-P energy: -39.102
bonds (distance) P-C4' energy: -41.683
flat angles C4'-P-C4' energy: -56.279
flat angles P-C4'-P energy: -37.360
tors. eta vs tors. theta energy: -37.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -575.410568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.410568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.410568 (E_RNA)
where:
Base-Base interactions energy: -368.581
where: short stacking energy: -164.305
Base-Backbone interact. energy: 2.721
local terms energy: -209.550863
where:
bonds (distance) C4'-P energy: -46.838
bonds (distance) P-C4' energy: -49.896
flat angles C4'-P-C4' energy: -51.986
flat angles P-C4'-P energy: -31.441
tors. eta vs tors. theta energy: -29.389
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: 9
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -464.804581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.804581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.804581 (E_RNA)
where:
Base-Base interactions energy: -288.586
where: short stacking energy: -111.665
Base-Backbone interact. energy: -0.507
local terms energy: -175.711707
where:
bonds (distance) C4'-P energy: -38.532
bonds (distance) P-C4' energy: -47.306
flat angles C4'-P-C4' energy: -40.898
flat angles P-C4'-P energy: -24.555
tors. eta vs tors. theta energy: -24.421
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: 10
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -218.129190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.129190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.129190 (E_RNA)
where:
Base-Base interactions energy: -80.029
where: short stacking energy: -76.729
Base-Backbone interact. energy: 5.024
local terms energy: -143.124039
where:
bonds (distance) C4'-P energy: -28.476
bonds (distance) P-C4' energy: -53.235
flat angles C4'-P-C4' energy: -46.921
flat angles P-C4'-P energy: -11.707
tors. eta vs tors. theta energy: -2.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -890.599677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.599677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.599677 (E_RNA)
where:
Base-Base interactions energy: -624.719
where: short stacking energy: -259.802
Base-Backbone interact. energy: 0.960
local terms energy: -266.840842
where:
bonds (distance) C4'-P energy: -44.685
bonds (distance) P-C4' energy: -58.828
flat angles C4'-P-C4' energy: -52.737
flat angles P-C4'-P energy: -44.582
tors. eta vs tors. theta energy: -66.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -887.577338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.577338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.577338 (E_RNA)
where:
Base-Base interactions energy: -610.891
where: short stacking energy: -273.767
Base-Backbone interact. energy: -1.475
local terms energy: -275.211167
where:
bonds (distance) C4'-P energy: -44.791
bonds (distance) P-C4' energy: -56.666
flat angles C4'-P-C4' energy: -62.427
flat angles P-C4'-P energy: -34.965
tors. eta vs tors. theta energy: -76.363
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: 63
Temperature: 1.000000
Total energy: -879.838671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.838671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.838671 (E_RNA)
where:
Base-Base interactions energy: -603.084
where: short stacking energy: -262.578
Base-Backbone interact. energy: -0.632
local terms energy: -276.123158
where:
bonds (distance) C4'-P energy: -51.412
bonds (distance) P-C4' energy: -51.897
flat angles C4'-P-C4' energy: -53.972
flat angles P-C4'-P energy: -48.716
tors. eta vs tors. theta energy: -70.126
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: 5
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -839.685866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.685866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.685866 (E_RNA)
where:
Base-Base interactions energy: -604.826
where: short stacking energy: -248.329
Base-Backbone interact. energy: -0.272
local terms energy: -234.587795
where:
bonds (distance) C4'-P energy: -56.507
bonds (distance) P-C4' energy: -38.195
flat angles C4'-P-C4' energy: -42.129
flat angles P-C4'-P energy: -32.408
tors. eta vs tors. theta energy: -65.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -768.043811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.043811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.043811 (E_RNA)
where:
Base-Base interactions energy: -522.023
where: short stacking energy: -220.858
Base-Backbone interact. energy: 1.076
local terms energy: -247.096478
where:
bonds (distance) C4'-P energy: -55.175
bonds (distance) P-C4' energy: -52.484
flat angles C4'-P-C4' energy: -55.635
flat angles P-C4'-P energy: -32.148
tors. eta vs tors. theta energy: -51.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -716.596503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.596503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.596503 (E_RNA)
where:
Base-Base interactions energy: -479.344
where: short stacking energy: -203.781
Base-Backbone interact. energy: -0.050
local terms energy: -237.202282
where:
bonds (distance) C4'-P energy: -47.002
bonds (distance) P-C4' energy: -50.157
flat angles C4'-P-C4' energy: -55.605
flat angles P-C4'-P energy: -33.751
tors. eta vs tors. theta energy: -50.686
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: 7
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -667.573251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.573251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.573251 (E_RNA)
where:
Base-Base interactions energy: -443.681
where: short stacking energy: -197.194
Base-Backbone interact. energy: 2.471
local terms energy: -226.362891
where:
bonds (distance) C4'-P energy: -47.825
bonds (distance) P-C4' energy: -50.116
flat angles C4'-P-C4' energy: -49.370
flat angles P-C4'-P energy: -37.198
tors. eta vs tors. theta energy: -41.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -573.861703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.861703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.861703 (E_RNA)
where:
Base-Base interactions energy: -368.632
where: short stacking energy: -182.156
Base-Backbone interact. energy: 4.232
local terms energy: -209.461771
where:
bonds (distance) C4'-P energy: -48.543
bonds (distance) P-C4' energy: -47.127
flat angles C4'-P-C4' energy: -46.017
flat angles P-C4'-P energy: -33.916
tors. eta vs tors. theta energy: -33.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -445.579282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.579282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.579282 (E_RNA)
where:
Base-Base interactions energy: -279.709
where: short stacking energy: -117.010
Base-Backbone interact. energy: 2.114
local terms energy: -167.984380
where:
bonds (distance) C4'-P energy: -43.867
bonds (distance) P-C4' energy: -51.427
flat angles C4'-P-C4' energy: -38.223
flat angles P-C4'-P energy: -17.645
tors. eta vs tors. theta energy: -16.823
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: 10, replica: 10
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -242.593648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.593648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.593648 (E_RNA)
where:
Base-Base interactions energy: -98.235
where: short stacking energy: -79.165
Base-Backbone interact. energy: 2.143
local terms energy: -146.501980
where:
bonds (distance) C4'-P energy: -46.690
bonds (distance) P-C4' energy: -35.194
flat angles C4'-P-C4' energy: -35.230
flat angles P-C4'-P energy: -24.165
tors. eta vs tors. theta energy: -5.223
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: 3
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -902.016513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.016513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.016513 (E_RNA)
where:
Base-Base interactions energy: -620.141
where: short stacking energy: -265.212
Base-Backbone interact. energy: -0.222
local terms energy: -281.653052
where:
bonds (distance) C4'-P energy: -56.249
bonds (distance) P-C4' energy: -50.527
flat angles C4'-P-C4' energy: -56.572
flat angles P-C4'-P energy: -44.925
tors. eta vs tors. theta energy: -73.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -893.426829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.426829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.426829 (E_RNA)
where:
Base-Base interactions energy: -625.285
where: short stacking energy: -271.773
Base-Backbone interact. energy: -0.066
local terms energy: -268.075591
where:
bonds (distance) C4'-P energy: -44.277
bonds (distance) P-C4' energy: -50.260
flat angles C4'-P-C4' energy: -60.932
flat angles P-C4'-P energy: -34.775
tors. eta vs tors. theta energy: -77.831
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: 5
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -867.275369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.275369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.275369 (E_RNA)
where:
Base-Base interactions energy: -611.281
where: short stacking energy: -254.274
Base-Backbone interact. energy: 0.131
local terms energy: -256.125405
where:
bonds (distance) C4'-P energy: -43.114
bonds (distance) P-C4' energy: -47.225
flat angles C4'-P-C4' energy: -56.158
flat angles P-C4'-P energy: -39.926
tors. eta vs tors. theta energy: -69.702
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: 4, replica: 4
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -868.289672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.289672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.289672 (E_RNA)
where:
Base-Base interactions energy: -606.218
where: short stacking energy: -266.466
Base-Backbone interact. energy: 3.274
local terms energy: -265.345285
where:
bonds (distance) C4'-P energy: -45.543
bonds (distance) P-C4' energy: -42.994
flat angles C4'-P-C4' energy: -53.741
flat angles P-C4'-P energy: -46.995
tors. eta vs tors. theta energy: -76.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -749.952777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.952777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.952777 (E_RNA)
where:
Base-Base interactions energy: -525.261
where: short stacking energy: -206.958
Base-Backbone interact. energy: -1.008
local terms energy: -223.683965
where:
bonds (distance) C4'-P energy: -52.464
bonds (distance) P-C4' energy: -49.132
flat angles C4'-P-C4' energy: -45.855
flat angles P-C4'-P energy: -18.889
tors. eta vs tors. theta energy: -57.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -728.642511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.642511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.642511 (E_RNA)
where:
Base-Base interactions energy: -497.944
where: short stacking energy: -213.349
Base-Backbone interact. energy: 1.574
local terms energy: -232.272537
where:
bonds (distance) C4'-P energy: -46.797
bonds (distance) P-C4' energy: -48.677
flat angles C4'-P-C4' energy: -53.204
flat angles P-C4'-P energy: -27.736
tors. eta vs tors. theta energy: -55.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -662.479119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.479119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.479119 (E_RNA)
where:
Base-Base interactions energy: -450.366
where: short stacking energy: -193.590
Base-Backbone interact. energy: 0.048
local terms energy: -212.161540
where:
bonds (distance) C4'-P energy: -45.575
bonds (distance) P-C4' energy: -51.697
flat angles C4'-P-C4' energy: -47.947
flat angles P-C4'-P energy: -22.023
tors. eta vs tors. theta energy: -44.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -560.773230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.773230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.773230 (E_RNA)
where:
Base-Base interactions energy: -360.585
where: short stacking energy: -164.895
Base-Backbone interact. energy: -0.552
local terms energy: -199.635875
where:
bonds (distance) C4'-P energy: -43.906
bonds (distance) P-C4' energy: -40.715
flat angles C4'-P-C4' energy: -44.883
flat angles P-C4'-P energy: -33.390
tors. eta vs tors. theta energy: -36.742
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: 9
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -480.298790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.298790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.298790 (E_RNA)
where:
Base-Base interactions energy: -309.159
where: short stacking energy: -145.135
Base-Backbone interact. energy: -0.728
local terms energy: -170.411149
where:
bonds (distance) C4'-P energy: -40.403
bonds (distance) P-C4' energy: -37.782
flat angles C4'-P-C4' energy: -37.831
flat angles P-C4'-P energy: -27.980
tors. eta vs tors. theta energy: -26.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -222.285559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.285559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.285559 (E_RNA)
where:
Base-Base interactions energy: -93.599
where: short stacking energy: -61.567
Base-Backbone interact. energy: 2.772
local terms energy: -131.458731
where:
bonds (distance) C4'-P energy: -45.281
bonds (distance) P-C4' energy: -40.246
flat angles C4'-P-C4' energy: -36.872
flat angles P-C4'-P energy: -18.602
tors. eta vs tors. theta energy: 9.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -903.278648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.278648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.278648 (E_RNA)
where:
Base-Base interactions energy: -630.700
where: short stacking energy: -258.914
Base-Backbone interact. energy: -0.980
local terms energy: -271.598484
where:
bonds (distance) C4'-P energy: -54.645
bonds (distance) P-C4' energy: -49.596
flat angles C4'-P-C4' energy: -58.812
flat angles P-C4'-P energy: -36.407
tors. eta vs tors. theta energy: -72.139
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: 5
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -876.942005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.942005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.942005 (E_RNA)
where:
Base-Base interactions energy: -611.126
where: short stacking energy: -257.868
Base-Backbone interact. energy: 2.186
local terms energy: -268.001705
where:
bonds (distance) C4'-P energy: -43.655
bonds (distance) P-C4' energy: -52.600
flat angles C4'-P-C4' energy: -58.389
flat angles P-C4'-P energy: -41.437
tors. eta vs tors. theta energy: -71.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -874.664676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.664676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.664676 (E_RNA)
where:
Base-Base interactions energy: -609.492
where: short stacking energy: -251.077
Base-Backbone interact. energy: -0.969
local terms energy: -264.203624
where:
bonds (distance) C4'-P energy: -49.323
bonds (distance) P-C4' energy: -53.836
flat angles C4'-P-C4' energy: -52.918
flat angles P-C4'-P energy: -39.073
tors. eta vs tors. theta energy: -69.054
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: 4
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -858.292289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.292289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.292289 (E_RNA)
where:
Base-Base interactions energy: -577.417
where: short stacking energy: -249.995
Base-Backbone interact. energy: 1.166
local terms energy: -282.041440
where:
bonds (distance) C4'-P energy: -53.371
bonds (distance) P-C4' energy: -58.090
flat angles C4'-P-C4' energy: -62.354
flat angles P-C4'-P energy: -37.440
tors. eta vs tors. theta energy: -70.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -754.528503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.528503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.528503 (E_RNA)
where:
Base-Base interactions energy: -522.311
where: short stacking energy: -219.348
Base-Backbone interact. energy: 0.926
local terms energy: -233.143096
where:
bonds (distance) C4'-P energy: -42.393
bonds (distance) P-C4' energy: -44.601
flat angles C4'-P-C4' energy: -58.863
flat angles P-C4'-P energy: -30.975
tors. eta vs tors. theta energy: -56.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -701.998315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.998315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.998315 (E_RNA)
where:
Base-Base interactions energy: -468.036
where: short stacking energy: -192.948
Base-Backbone interact. energy: -0.886
local terms energy: -233.076083
where:
bonds (distance) C4'-P energy: -49.288
bonds (distance) P-C4' energy: -46.279
flat angles C4'-P-C4' energy: -62.180
flat angles P-C4'-P energy: -39.004
tors. eta vs tors. theta energy: -36.325
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: 7
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -652.785776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.785776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.785776 (E_RNA)
where:
Base-Base interactions energy: -406.519
where: short stacking energy: -169.007
Base-Backbone interact. energy: -0.210
local terms energy: -246.057213
where:
bonds (distance) C4'-P energy: -53.770
bonds (distance) P-C4' energy: -47.755
flat angles C4'-P-C4' energy: -52.405
flat angles P-C4'-P energy: -38.298
tors. eta vs tors. theta energy: -53.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -570.204035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.204035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.204035 (E_RNA)
where:
Base-Base interactions energy: -368.605
where: short stacking energy: -172.313
Base-Backbone interact. energy: -0.925
local terms energy: -200.673789
where:
bonds (distance) C4'-P energy: -41.261
bonds (distance) P-C4' energy: -59.838
flat angles C4'-P-C4' energy: -43.334
flat angles P-C4'-P energy: -21.866
tors. eta vs tors. theta energy: -34.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -416.240333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.240333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.240333 (E_RNA)
where:
Base-Base interactions energy: -230.526
where: short stacking energy: -124.441
Base-Backbone interact. energy: 0.218
local terms energy: -185.932457
where:
bonds (distance) C4'-P energy: -40.345
bonds (distance) P-C4' energy: -44.575
flat angles C4'-P-C4' energy: -53.788
flat angles P-C4'-P energy: -30.650
tors. eta vs tors. theta energy: -16.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -217.680971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.680971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.680971 (E_RNA)
where:
Base-Base interactions energy: -66.525
where: short stacking energy: -66.074
Base-Backbone interact. energy: -0.170
local terms energy: -150.985899
where:
bonds (distance) C4'-P energy: -34.398
bonds (distance) P-C4' energy: -51.332
flat angles C4'-P-C4' energy: -47.295
flat angles P-C4'-P energy: -23.841
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: 5
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -922.146328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.146328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.146328 (E_RNA)
where:
Base-Base interactions energy: -638.711
where: short stacking energy: -275.771
Base-Backbone interact. energy: -2.454
local terms energy: -280.981370
where:
bonds (distance) C4'-P energy: -54.447
bonds (distance) P-C4' energy: -46.599
flat angles C4'-P-C4' energy: -59.770
flat angles P-C4'-P energy: -42.258
tors. eta vs tors. theta energy: -77.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -873.191336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.191336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.191336 (E_RNA)
where:
Base-Base interactions energy: -595.610
where: short stacking energy: -255.141
Base-Backbone interact. energy: -0.586
local terms energy: -276.994776
where:
bonds (distance) C4'-P energy: -55.181
bonds (distance) P-C4' energy: -50.618
flat angles C4'-P-C4' energy: -53.630
flat angles P-C4'-P energy: -44.564
tors. eta vs tors. theta energy: -73.003
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: 3, replica: 1
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -870.929075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.929075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.929075 (E_RNA)
where:
Base-Base interactions energy: -606.379
where: short stacking energy: -251.667
Base-Backbone interact. energy: 0.876
local terms energy: -265.425892
where:
bonds (distance) C4'-P energy: -49.541
bonds (distance) P-C4' energy: -49.678
flat angles C4'-P-C4' energy: -64.297
flat angles P-C4'-P energy: -33.629
tors. eta vs tors. theta energy: -68.281
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: 4, replica: 4
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -846.406541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.406541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.406541 (E_RNA)
where:
Base-Base interactions energy: -579.829
where: short stacking energy: -256.797
Base-Backbone interact. energy: -0.234
local terms energy: -266.343341
where:
bonds (distance) C4'-P energy: -49.628
bonds (distance) P-C4' energy: -47.955
flat angles C4'-P-C4' energy: -56.836
flat angles P-C4'-P energy: -34.974
tors. eta vs tors. theta energy: -76.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -736.735636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.735636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.735636 (E_RNA)
where:
Base-Base interactions energy: -504.112
where: short stacking energy: -198.056
Base-Backbone interact. energy: -2.037
local terms energy: -230.586308
where:
bonds (distance) C4'-P energy: -36.672
bonds (distance) P-C4' energy: -54.375
flat angles C4'-P-C4' energy: -57.921
flat angles P-C4'-P energy: -36.500
tors. eta vs tors. theta energy: -45.119
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: 2
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -727.513798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.513798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.513798 (E_RNA)
where:
Base-Base interactions energy: -494.397
where: short stacking energy: -222.710
Base-Backbone interact. energy: 0.086
local terms energy: -233.202489
where:
bonds (distance) C4'-P energy: -44.057
bonds (distance) P-C4' energy: -54.321
flat angles C4'-P-C4' energy: -50.520
flat angles P-C4'-P energy: -32.853
tors. eta vs tors. theta energy: -51.450
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: 8
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -587.684680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.684680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.684680 (E_RNA)
where:
Base-Base interactions energy: -375.772
where: short stacking energy: -180.915
Base-Backbone interact. energy: 4.228
local terms energy: -216.141146
where:
bonds (distance) C4'-P energy: -42.029
bonds (distance) P-C4' energy: -46.738
flat angles C4'-P-C4' energy: -56.475
flat angles P-C4'-P energy: -29.112
tors. eta vs tors. theta energy: -41.787
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: 8, replica: 7
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -610.998595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.998595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.998595 (E_RNA)
where:
Base-Base interactions energy: -422.837
where: short stacking energy: -180.257
Base-Backbone interact. energy: -1.329
local terms energy: -186.833060
where:
bonds (distance) C4'-P energy: -42.351
bonds (distance) P-C4' energy: -42.254
flat angles C4'-P-C4' energy: -41.786
flat angles P-C4'-P energy: -19.056
tors. eta vs tors. theta energy: -41.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -362.565459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.565459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.565459 (E_RNA)
where:
Base-Base interactions energy: -207.780
where: short stacking energy: -94.151
Base-Backbone interact. energy: -0.244
local terms energy: -154.541617
where:
bonds (distance) C4'-P energy: -36.242
bonds (distance) P-C4' energy: -42.106
flat angles C4'-P-C4' energy: -47.818
flat angles P-C4'-P energy: -20.784
tors. eta vs tors. theta energy: -7.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -238.051936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.051936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.051936 (E_RNA)
where:
Base-Base interactions energy: -76.053
where: short stacking energy: -71.094
Base-Backbone interact. energy: -0.854
local terms energy: -161.144216
where:
bonds (distance) C4'-P energy: -48.202
bonds (distance) P-C4' energy: -42.436
flat angles C4'-P-C4' energy: -42.361
flat angles P-C4'-P energy: -33.799
tors. eta vs tors. theta energy: 5.653
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: 67
Temperature: 0.900000
Total energy: -931.386239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.386239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.386239 (E_RNA)
where:
Base-Base interactions energy: -645.006
where: short stacking energy: -275.363
Base-Backbone interact. energy: 0.300
local terms energy: -286.680109
where:
bonds (distance) C4'-P energy: -52.636
bonds (distance) P-C4' energy: -56.554
flat angles C4'-P-C4' energy: -63.549
flat angles P-C4'-P energy: -39.595
tors. eta vs tors. theta energy: -74.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -899.138037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.138037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.138037 (E_RNA)
where:
Base-Base interactions energy: -615.755
where: short stacking energy: -266.126
Base-Backbone interact. energy: 1.180
local terms energy: -284.563220
where:
bonds (distance) C4'-P energy: -57.258
bonds (distance) P-C4' energy: -52.129
flat angles C4'-P-C4' energy: -63.831
flat angles P-C4'-P energy: -40.887
tors. eta vs tors. theta energy: -70.459
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: 3
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -883.228576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.228576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.228576 (E_RNA)
where:
Base-Base interactions energy: -608.843
where: short stacking energy: -271.001
Base-Backbone interact. energy: -1.900
local terms energy: -272.485243
where:
bonds (distance) C4'-P energy: -50.132
bonds (distance) P-C4' energy: -46.634
flat angles C4'-P-C4' energy: -58.238
flat angles P-C4'-P energy: -37.167
tors. eta vs tors. theta energy: -80.314
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: 4
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -843.347902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.347902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.347902 (E_RNA)
where:
Base-Base interactions energy: -599.912
where: short stacking energy: -256.438
Base-Backbone interact. energy: -2.442
local terms energy: -240.993625
where:
bonds (distance) C4'-P energy: -43.410
bonds (distance) P-C4' energy: -46.269
flat angles C4'-P-C4' energy: -48.930
flat angles P-C4'-P energy: -35.304
tors. eta vs tors. theta energy: -67.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -756.358002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.358002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.358002 (E_RNA)
where:
Base-Base interactions energy: -524.934
where: short stacking energy: -221.476
Base-Backbone interact. energy: -0.825
local terms energy: -230.598885
where:
bonds (distance) C4'-P energy: -43.291
bonds (distance) P-C4' energy: -48.519
flat angles C4'-P-C4' energy: -48.783
flat angles P-C4'-P energy: -40.091
tors. eta vs tors. theta energy: -49.915
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: 2
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -748.125512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.125512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.125512 (E_RNA)
where:
Base-Base interactions energy: -508.314
where: short stacking energy: -213.225
Base-Backbone interact. energy: -0.883
local terms energy: -238.928764
where:
bonds (distance) C4'-P energy: -44.518
bonds (distance) P-C4' energy: -46.508
flat angles C4'-P-C4' energy: -57.639
flat angles P-C4'-P energy: -38.411
tors. eta vs tors. theta energy: -51.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -584.885813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.885813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.885813 (E_RNA)
where:
Base-Base interactions energy: -358.123
where: short stacking energy: -163.202
Base-Backbone interact. energy: 0.421
local terms energy: -227.184013
where:
bonds (distance) C4'-P energy: -45.724
bonds (distance) P-C4' energy: -56.078
flat angles C4'-P-C4' energy: -41.333
flat angles P-C4'-P energy: -38.460
tors. eta vs tors. theta energy: -45.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -634.604608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.604608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.604608 (E_RNA)
where:
Base-Base interactions energy: -420.331
where: short stacking energy: -179.442
Base-Backbone interact. energy: -0.607
local terms energy: -213.666211
where:
bonds (distance) C4'-P energy: -54.619
bonds (distance) P-C4' energy: -50.680
flat angles C4'-P-C4' energy: -43.496
flat angles P-C4'-P energy: -25.825
tors. eta vs tors. theta energy: -39.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -385.255786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.255786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.255786 (E_RNA)
where:
Base-Base interactions energy: -207.957
where: short stacking energy: -118.305
Base-Backbone interact. energy: 3.455
local terms energy: -180.753646
where:
bonds (distance) C4'-P energy: -47.981
bonds (distance) P-C4' energy: -42.849
flat angles C4'-P-C4' energy: -47.744
flat angles P-C4'-P energy: -27.075
tors. eta vs tors. theta energy: -15.105
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: 10
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -237.317973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.317973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.317973 (E_RNA)
where:
Base-Base interactions energy: -88.298
where: short stacking energy: -69.224
Base-Backbone interact. energy: -1.094
local terms energy: -147.926535
where:
bonds (distance) C4'-P energy: -40.672
bonds (distance) P-C4' energy: -41.606
flat angles C4'-P-C4' energy: -47.322
flat angles P-C4'-P energy: -22.452
tors. eta vs tors. theta energy: 4.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -924.662273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.662273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.662273 (E_RNA)
where:
Base-Base interactions energy: -641.594
where: short stacking energy: -275.512
Base-Backbone interact. energy: -0.351
local terms energy: -282.717607
where:
bonds (distance) C4'-P energy: -50.343
bonds (distance) P-C4' energy: -57.790
flat angles C4'-P-C4' energy: -56.645
flat angles P-C4'-P energy: -43.351
tors. eta vs tors. theta energy: -74.589
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: 68
Temperature: 0.950000
Total energy: -902.093123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.093123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.093123 (E_RNA)
where:
Base-Base interactions energy: -631.132
where: short stacking energy: -272.059
Base-Backbone interact. energy: -1.207
local terms energy: -269.753392
where:
bonds (distance) C4'-P energy: -54.096
bonds (distance) P-C4' energy: -48.583
flat angles C4'-P-C4' energy: -56.511
flat angles P-C4'-P energy: -40.247
tors. eta vs tors. theta energy: -70.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -865.637471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.637471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.637471 (E_RNA)
where:
Base-Base interactions energy: -603.950
where: short stacking energy: -264.603
Base-Backbone interact. energy: 0.153
local terms energy: -261.840592
where:
bonds (distance) C4'-P energy: -53.737
bonds (distance) P-C4' energy: -49.981
flat angles C4'-P-C4' energy: -49.940
flat angles P-C4'-P energy: -33.936
tors. eta vs tors. theta energy: -74.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -870.181586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.181586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.181586 (E_RNA)
where:
Base-Base interactions energy: -606.109
where: short stacking energy: -254.156
Base-Backbone interact. energy: -0.904
local terms energy: -263.168356
where:
bonds (distance) C4'-P energy: -46.564
bonds (distance) P-C4' energy: -52.519
flat angles C4'-P-C4' energy: -53.014
flat angles P-C4'-P energy: -35.765
tors. eta vs tors. theta energy: -75.305
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: 5, replica: 2
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -728.790534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.790534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.790534 (E_RNA)
where:
Base-Base interactions energy: -500.427
where: short stacking energy: -215.033
Base-Backbone interact. energy: 2.608
local terms energy: -230.971955
where:
bonds (distance) C4'-P energy: -47.349
bonds (distance) P-C4' energy: -42.278
flat angles C4'-P-C4' energy: -54.681
flat angles P-C4'-P energy: -31.242
tors. eta vs tors. theta energy: -55.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -706.126338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.126338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.126338 (E_RNA)
where:
Base-Base interactions energy: -490.659
where: short stacking energy: -198.492
Base-Backbone interact. energy: -0.714
local terms energy: -214.753568
where:
bonds (distance) C4'-P energy: -43.875
bonds (distance) P-C4' energy: -46.775
flat angles C4'-P-C4' energy: -42.324
flat angles P-C4'-P energy: -35.490
tors. eta vs tors. theta energy: -46.289
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: 7, replica: 8
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -599.454990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.454990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.454990 (E_RNA)
where:
Base-Base interactions energy: -367.507
where: short stacking energy: -162.351
Base-Backbone interact. energy: -0.696
local terms energy: -231.251748
where:
bonds (distance) C4'-P energy: -49.741
bonds (distance) P-C4' energy: -50.139
flat angles C4'-P-C4' energy: -57.968
flat angles P-C4'-P energy: -34.249
tors. eta vs tors. theta energy: -39.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -612.680235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.680235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.680235 (E_RNA)
where:
Base-Base interactions energy: -404.084
where: short stacking energy: -173.324
Base-Backbone interact. energy: -0.856
local terms energy: -207.739625
where:
bonds (distance) C4'-P energy: -41.412
bonds (distance) P-C4' energy: -47.142
flat angles C4'-P-C4' energy: -51.934
flat angles P-C4'-P energy: -29.364
tors. eta vs tors. theta energy: -37.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -354.487008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.487008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.487008 (E_RNA)
where:
Base-Base interactions energy: -222.323
where: short stacking energy: -100.198
Base-Backbone interact. energy: 2.478
local terms energy: -134.642112
where:
bonds (distance) C4'-P energy: -40.201
bonds (distance) P-C4' energy: -38.924
flat angles C4'-P-C4' energy: -38.397
flat angles P-C4'-P energy: -13.388
tors. eta vs tors. theta energy: -3.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -224.615704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.615704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.615704 (E_RNA)
where:
Base-Base interactions energy: -77.198
where: short stacking energy: -75.880
Base-Backbone interact. energy: 3.301
local terms energy: -150.718721
where:
bonds (distance) C4'-P energy: -41.251
bonds (distance) P-C4' energy: -32.725
flat angles C4'-P-C4' energy: -45.373
flat angles P-C4'-P energy: -37.431
tors. eta vs tors. theta energy: 6.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -924.231377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.231377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.231377 (E_RNA)
where:
Base-Base interactions energy: -654.609
where: short stacking energy: -271.293
Base-Backbone interact. energy: -2.929
local terms energy: -266.693341
where:
bonds (distance) C4'-P energy: -41.429
bonds (distance) P-C4' energy: -55.476
flat angles C4'-P-C4' energy: -52.341
flat angles P-C4'-P energy: -41.258
tors. eta vs tors. theta energy: -76.189
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: 69
Temperature: 0.950000
Total energy: -905.779408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.779408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.779408 (E_RNA)
where:
Base-Base interactions energy: -637.250
where: short stacking energy: -250.828
Base-Backbone interact. energy: -2.195
local terms energy: -266.334813
where:
bonds (distance) C4'-P energy: -47.566
bonds (distance) P-C4' energy: -50.083
flat angles C4'-P-C4' energy: -61.958
flat angles P-C4'-P energy: -34.804
tors. eta vs tors. theta energy: -71.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -868.523019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.523019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.523019 (E_RNA)
where:
Base-Base interactions energy: -607.822
where: short stacking energy: -262.480
Base-Backbone interact. energy: -1.583
local terms energy: -259.118278
where:
bonds (distance) C4'-P energy: -41.242
bonds (distance) P-C4' energy: -50.441
flat angles C4'-P-C4' energy: -51.683
flat angles P-C4'-P energy: -43.781
tors. eta vs tors. theta energy: -71.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -860.299894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.299894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.299894 (E_RNA)
where:
Base-Base interactions energy: -615.276
where: short stacking energy: -247.695
Base-Backbone interact. energy: 1.291
local terms energy: -246.314549
where:
bonds (distance) C4'-P energy: -45.110
bonds (distance) P-C4' energy: -55.241
flat angles C4'-P-C4' energy: -46.472
flat angles P-C4'-P energy: -32.078
tors. eta vs tors. theta energy: -67.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -707.309155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.309155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.309155 (E_RNA)
where:
Base-Base interactions energy: -477.084
where: short stacking energy: -218.468
Base-Backbone interact. energy: -0.911
local terms energy: -229.314407
where:
bonds (distance) C4'-P energy: -50.590
bonds (distance) P-C4' energy: -41.253
flat angles C4'-P-C4' energy: -50.628
flat angles P-C4'-P energy: -37.196
tors. eta vs tors. theta energy: -49.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -741.984085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.984085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.984085 (E_RNA)
where:
Base-Base interactions energy: -514.411
where: short stacking energy: -217.245
Base-Backbone interact. energy: -1.457
local terms energy: -226.115579
where:
bonds (distance) C4'-P energy: -44.109
bonds (distance) P-C4' energy: -50.535
flat angles C4'-P-C4' energy: -44.823
flat angles P-C4'-P energy: -38.506
tors. eta vs tors. theta energy: -48.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -614.512201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.512201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.512201 (E_RNA)
where:
Base-Base interactions energy: -396.216
where: short stacking energy: -192.668
Base-Backbone interact. energy: -0.863
local terms energy: -217.433108
where:
bonds (distance) C4'-P energy: -45.171
bonds (distance) P-C4' energy: -48.831
flat angles C4'-P-C4' energy: -48.584
flat angles P-C4'-P energy: -28.758
tors. eta vs tors. theta energy: -46.090
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: 8, replica: 7
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -582.513966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.513966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.513966 (E_RNA)
where:
Base-Base interactions energy: -386.689
where: short stacking energy: -167.718
Base-Backbone interact. energy: 0.519
local terms energy: -196.344170
where:
bonds (distance) C4'-P energy: -32.682
bonds (distance) P-C4' energy: -55.198
flat angles C4'-P-C4' energy: -51.633
flat angles P-C4'-P energy: -32.086
tors. eta vs tors. theta energy: -24.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -427.585369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.585369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.585369 (E_RNA)
where:
Base-Base interactions energy: -256.495
where: short stacking energy: -108.205
Base-Backbone interact. energy: -0.369
local terms energy: -170.721177
where:
bonds (distance) C4'-P energy: -36.579
bonds (distance) P-C4' energy: -41.588
flat angles C4'-P-C4' energy: -40.301
flat angles P-C4'-P energy: -32.969
tors. eta vs tors. theta energy: -19.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -237.637015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.637015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.637015 (E_RNA)
where:
Base-Base interactions energy: -104.889
where: short stacking energy: -57.761
Base-Backbone interact. energy: -1.805
local terms energy: -130.942781
where:
bonds (distance) C4'-P energy: -45.443
bonds (distance) P-C4' energy: -39.752
flat angles C4'-P-C4' energy: -38.394
flat angles P-C4'-P energy: -12.553
tors. eta vs tors. theta energy: 5.200
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: 5
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -903.364729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.364729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.364729 (E_RNA)
where:
Base-Base interactions energy: -628.036
where: short stacking energy: -269.778
Base-Backbone interact. energy: -1.431
local terms energy: -273.897096
where:
bonds (distance) C4'-P energy: -51.845
bonds (distance) P-C4' energy: -48.538
flat angles C4'-P-C4' energy: -56.234
flat angles P-C4'-P energy: -39.760
tors. eta vs tors. theta energy: -77.519
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: 2, replica: 1
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -878.591569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.591569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.591569 (E_RNA)
where:
Base-Base interactions energy: -599.099
where: short stacking energy: -267.921
Base-Backbone interact. energy: -1.270
local terms energy: -278.222699
where:
bonds (distance) C4'-P energy: -55.102
bonds (distance) P-C4' energy: -52.969
flat angles C4'-P-C4' energy: -63.328
flat angles P-C4'-P energy: -37.857
tors. eta vs tors. theta energy: -68.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -881.367361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.367361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.367361 (E_RNA)
where:
Base-Base interactions energy: -609.164
where: short stacking energy: -242.252
Base-Backbone interact. energy: -0.412
local terms energy: -271.790948
where:
bonds (distance) C4'-P energy: -45.306
bonds (distance) P-C4' energy: -53.117
flat angles C4'-P-C4' energy: -61.168
flat angles P-C4'-P energy: -39.174
tors. eta vs tors. theta energy: -73.026
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: 4, replica: 3
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -837.129948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.129948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.129948 (E_RNA)
where:
Base-Base interactions energy: -580.632
where: short stacking energy: -236.417
Base-Backbone interact. energy: 1.348
local terms energy: -257.845292
where:
bonds (distance) C4'-P energy: -57.065
bonds (distance) P-C4' energy: -44.927
flat angles C4'-P-C4' energy: -50.368
flat angles P-C4'-P energy: -42.531
tors. eta vs tors. theta energy: -62.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -701.527958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.527958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.527958 (E_RNA)
where:
Base-Base interactions energy: -472.428
where: short stacking energy: -200.828
Base-Backbone interact. energy: -0.817
local terms energy: -228.283169
where:
bonds (distance) C4'-P energy: -38.215
bonds (distance) P-C4' energy: -54.466
flat angles C4'-P-C4' energy: -54.684
flat angles P-C4'-P energy: -34.257
tors. eta vs tors. theta energy: -46.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -712.410969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.410969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.410969 (E_RNA)
where:
Base-Base interactions energy: -492.100
where: short stacking energy: -218.697
Base-Backbone interact. energy: -1.169
local terms energy: -219.141464
where:
bonds (distance) C4'-P energy: -45.669
bonds (distance) P-C4' energy: -47.966
flat angles C4'-P-C4' energy: -41.928
flat angles P-C4'-P energy: -32.252
tors. eta vs tors. theta energy: -51.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -599.261274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.261274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.261274 (E_RNA)
where:
Base-Base interactions energy: -386.463
where: short stacking energy: -173.625
Base-Backbone interact. energy: -1.023
local terms energy: -211.774675
where:
bonds (distance) C4'-P energy: -49.991
bonds (distance) P-C4' energy: -46.422
flat angles C4'-P-C4' energy: -45.192
flat angles P-C4'-P energy: -24.306
tors. eta vs tors. theta energy: -45.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -578.718016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.718016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.718016 (E_RNA)
where:
Base-Base interactions energy: -381.768
where: short stacking energy: -148.315
Base-Backbone interact. energy: -2.220
local terms energy: -194.729506
where:
bonds (distance) C4'-P energy: -35.024
bonds (distance) P-C4' energy: -46.906
flat angles C4'-P-C4' energy: -43.772
flat angles P-C4'-P energy: -35.488
tors. eta vs tors. theta energy: -33.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -415.996918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.996918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.996918 (E_RNA)
where:
Base-Base interactions energy: -244.300
where: short stacking energy: -106.778
Base-Backbone interact. energy: -0.311
local terms energy: -171.386463
where:
bonds (distance) C4'-P energy: -28.402
bonds (distance) P-C4' energy: -53.024
flat angles C4'-P-C4' energy: -55.545
flat angles P-C4'-P energy: -28.067
tors. eta vs tors. theta energy: -6.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -235.786617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.786617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.786617 (E_RNA)
where:
Base-Base interactions energy: -106.269
where: short stacking energy: -91.114
Base-Backbone interact. energy: -0.403
local terms energy: -129.115170
where:
bonds (distance) C4'-P energy: -28.970
bonds (distance) P-C4' energy: -40.310
flat angles C4'-P-C4' energy: -38.637
flat angles P-C4'-P energy: -22.658
tors. eta vs tors. theta energy: 1.460
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: 1, replica: 5
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -917.551676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.551676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.551676 (E_RNA)
where:
Base-Base interactions energy: -649.150
where: short stacking energy: -266.949
Base-Backbone interact. energy: 1.448
local terms energy: -269.849869
where:
bonds (distance) C4'-P energy: -53.942
bonds (distance) P-C4' energy: -53.495
flat angles C4'-P-C4' energy: -56.452
flat angles P-C4'-P energy: -37.034
tors. eta vs tors. theta energy: -68.928
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: 4
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -889.304546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.304546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.304546 (E_RNA)
where:
Base-Base interactions energy: -628.360
where: short stacking energy: -259.829
Base-Backbone interact. energy: 0.654
local terms energy: -261.598213
where:
bonds (distance) C4'-P energy: -53.778
bonds (distance) P-C4' energy: -41.966
flat angles C4'-P-C4' energy: -56.097
flat angles P-C4'-P energy: -40.881
tors. eta vs tors. theta energy: -68.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -875.229535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.229535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.229535 (E_RNA)
where:
Base-Base interactions energy: -619.529
where: short stacking energy: -269.433
Base-Backbone interact. energy: -1.848
local terms energy: -253.852564
where:
bonds (distance) C4'-P energy: -46.824
bonds (distance) P-C4' energy: -45.717
flat angles C4'-P-C4' energy: -50.343
flat angles P-C4'-P energy: -35.706
tors. eta vs tors. theta energy: -75.263
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: 3
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -832.232587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.232587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.232587 (E_RNA)
where:
Base-Base interactions energy: -549.120
where: short stacking energy: -229.817
Base-Backbone interact. energy: -0.682
local terms energy: -282.431497
where:
bonds (distance) C4'-P energy: -56.347
bonds (distance) P-C4' energy: -58.370
flat angles C4'-P-C4' energy: -59.611
flat angles P-C4'-P energy: -31.918
tors. eta vs tors. theta energy: -76.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -712.782867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.782867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.782867 (E_RNA)
where:
Base-Base interactions energy: -478.764
where: short stacking energy: -201.646
Base-Backbone interact. energy: -1.332
local terms energy: -232.686541
where:
bonds (distance) C4'-P energy: -44.388
bonds (distance) P-C4' energy: -50.774
flat angles C4'-P-C4' energy: -57.590
flat angles P-C4'-P energy: -33.625
tors. eta vs tors. theta energy: -46.311
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: 6
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -703.441538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.441538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.441538 (E_RNA)
where:
Base-Base interactions energy: -476.037
where: short stacking energy: -188.391
Base-Backbone interact. energy: -0.371
local terms energy: -227.033868
where:
bonds (distance) C4'-P energy: -48.503
bonds (distance) P-C4' energy: -51.542
flat angles C4'-P-C4' energy: -52.949
flat angles P-C4'-P energy: -33.589
tors. eta vs tors. theta energy: -40.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -599.782620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.782620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.782620 (E_RNA)
where:
Base-Base interactions energy: -402.437
where: short stacking energy: -166.470
Base-Backbone interact. energy: 2.057
local terms energy: -199.403150
where:
bonds (distance) C4'-P energy: -37.552
bonds (distance) P-C4' energy: -47.535
flat angles C4'-P-C4' energy: -46.020
flat angles P-C4'-P energy: -29.642
tors. eta vs tors. theta energy: -38.655
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: 7
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -569.843336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.843336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.843336 (E_RNA)
where:
Base-Base interactions energy: -346.171
where: short stacking energy: -165.869
Base-Backbone interact. energy: -1.859
local terms energy: -221.812982
where:
bonds (distance) C4'-P energy: -49.879
bonds (distance) P-C4' energy: -54.508
flat angles C4'-P-C4' energy: -50.083
flat angles P-C4'-P energy: -27.907
tors. eta vs tors. theta energy: -39.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -361.461404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.461404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.461404 (E_RNA)
where:
Base-Base interactions energy: -190.310
where: short stacking energy: -102.986
Base-Backbone interact. energy: -0.436
local terms energy: -170.715322
where:
bonds (distance) C4'-P energy: -34.992
bonds (distance) P-C4' energy: -49.500
flat angles C4'-P-C4' energy: -40.184
flat angles P-C4'-P energy: -34.507
tors. eta vs tors. theta energy: -11.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -222.699838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.699838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.699838 (E_RNA)
where:
Base-Base interactions energy: -84.499
where: short stacking energy: -76.543
Base-Backbone interact. energy: -1.429
local terms energy: -136.772017
where:
bonds (distance) C4'-P energy: -33.112
bonds (distance) P-C4' energy: -48.190
flat angles C4'-P-C4' energy: -43.618
flat angles P-C4'-P energy: -17.828
tors. eta vs tors. theta energy: 5.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -931.666829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.666829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.666829 (E_RNA)
where:
Base-Base interactions energy: -653.148
where: short stacking energy: -277.020
Base-Backbone interact. energy: 3.480
local terms energy: -281.998145
where:
bonds (distance) C4'-P energy: -51.339
bonds (distance) P-C4' energy: -53.312
flat angles C4'-P-C4' energy: -61.011
flat angles P-C4'-P energy: -40.772
tors. eta vs tors. theta energy: -75.565
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: 2, replica: 5
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -906.669246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.669246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.669246 (E_RNA)
where:
Base-Base interactions energy: -643.741
where: short stacking energy: -268.005
Base-Backbone interact. energy: 4.175
local terms energy: -267.104129
where:
bonds (distance) C4'-P energy: -50.586
bonds (distance) P-C4' energy: -42.394
flat angles C4'-P-C4' energy: -60.069
flat angles P-C4'-P energy: -37.342
tors. eta vs tors. theta energy: -76.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -887.051825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.051825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.051825 (E_RNA)
where:
Base-Base interactions energy: -623.751
where: short stacking energy: -272.814
Base-Backbone interact. energy: 0.257
local terms energy: -263.557514
where:
bonds (distance) C4'-P energy: -43.892
bonds (distance) P-C4' energy: -48.103
flat angles C4'-P-C4' energy: -55.193
flat angles P-C4'-P energy: -39.507
tors. eta vs tors. theta energy: -76.862
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: 3
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -822.939948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.939948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.939948 (E_RNA)
where:
Base-Base interactions energy: -556.833
where: short stacking energy: -231.794
Base-Backbone interact. energy: -1.555
local terms energy: -264.551759
where:
bonds (distance) C4'-P energy: -53.193
bonds (distance) P-C4' energy: -51.834
flat angles C4'-P-C4' energy: -55.214
flat angles P-C4'-P energy: -38.146
tors. eta vs tors. theta energy: -66.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -751.188714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.188714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.188714 (E_RNA)
where:
Base-Base interactions energy: -513.997
where: short stacking energy: -218.431
Base-Backbone interact. energy: -1.507
local terms energy: -235.685273
where:
bonds (distance) C4'-P energy: -54.107
bonds (distance) P-C4' energy: -49.286
flat angles C4'-P-C4' energy: -56.276
flat angles P-C4'-P energy: -25.875
tors. eta vs tors. theta energy: -50.141
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: 72
Temperature: 1.150000
Total energy: -722.245673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.245673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.245673 (E_RNA)
where:
Base-Base interactions energy: -488.007
where: short stacking energy: -212.946
Base-Backbone interact. energy: 0.084
local terms energy: -234.322541
where:
bonds (distance) C4'-P energy: -36.541
bonds (distance) P-C4' energy: -49.324
flat angles C4'-P-C4' energy: -56.850
flat angles P-C4'-P energy: -37.392
tors. eta vs tors. theta energy: -54.215
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: 7
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -611.688921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.688921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.688921 (E_RNA)
where:
Base-Base interactions energy: -394.930
where: short stacking energy: -185.498
Base-Backbone interact. energy: 0.523
local terms energy: -217.281708
where:
bonds (distance) C4'-P energy: -35.830
bonds (distance) P-C4' energy: -56.466
flat angles C4'-P-C4' energy: -49.592
flat angles P-C4'-P energy: -31.863
tors. eta vs tors. theta energy: -43.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -581.285631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.285631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.285631 (E_RNA)
where:
Base-Base interactions energy: -373.644
where: short stacking energy: -167.952
Base-Backbone interact. energy: -0.582
local terms energy: -207.059952
where:
bonds (distance) C4'-P energy: -37.559
bonds (distance) P-C4' energy: -52.723
flat angles C4'-P-C4' energy: -52.584
flat angles P-C4'-P energy: -24.905
tors. eta vs tors. theta energy: -39.290
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: 9, replica: 10
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -273.113576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.113576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.113576 (E_RNA)
where:
Base-Base interactions energy: -87.825
where: short stacking energy: -76.998
Base-Backbone interact. energy: -1.210
local terms energy: -184.078836
where:
bonds (distance) C4'-P energy: -50.466
bonds (distance) P-C4' energy: -52.406
flat angles C4'-P-C4' energy: -49.406
flat angles P-C4'-P energy: -34.616
tors. eta vs tors. theta energy: 2.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -324.076101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.076101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.076101 (E_RNA)
where:
Base-Base interactions energy: -161.299
where: short stacking energy: -102.442
Base-Backbone interact. energy: 0.623
local terms energy: -163.400718
where:
bonds (distance) C4'-P energy: -41.455
bonds (distance) P-C4' energy: -52.290
flat angles C4'-P-C4' energy: -39.497
flat angles P-C4'-P energy: -23.190
tors. eta vs tors. theta energy: -6.969
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: 4
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -939.311530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.311530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.311530 (E_RNA)
where:
Base-Base interactions energy: -650.093
where: short stacking energy: -282.389
Base-Backbone interact. energy: -2.152
local terms energy: -287.066618
where:
bonds (distance) C4'-P energy: -50.622
bonds (distance) P-C4' energy: -55.907
flat angles C4'-P-C4' energy: -63.549
flat angles P-C4'-P energy: -42.233
tors. eta vs tors. theta energy: -74.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -891.933889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.933889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.933889 (E_RNA)
where:
Base-Base interactions energy: -623.552
where: short stacking energy: -255.443
Base-Backbone interact. energy: 0.669
local terms energy: -269.050252
where:
bonds (distance) C4'-P energy: -49.077
bonds (distance) P-C4' energy: -52.084
flat angles C4'-P-C4' energy: -55.778
flat angles P-C4'-P energy: -34.454
tors. eta vs tors. theta energy: -77.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -884.530162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.530162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.530162 (E_RNA)
where:
Base-Base interactions energy: -629.100
where: short stacking energy: -258.680
Base-Backbone interact. energy: -2.139
local terms energy: -253.291618
where:
bonds (distance) C4'-P energy: -50.442
bonds (distance) P-C4' energy: -42.198
flat angles C4'-P-C4' energy: -56.859
flat angles P-C4'-P energy: -31.209
tors. eta vs tors. theta energy: -72.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -819.154490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.154490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.154490 (E_RNA)
where:
Base-Base interactions energy: -553.025
where: short stacking energy: -228.850
Base-Backbone interact. energy: -0.441
local terms energy: -265.688712
where:
bonds (distance) C4'-P energy: -59.280
bonds (distance) P-C4' energy: -48.279
flat angles C4'-P-C4' energy: -53.337
flat angles P-C4'-P energy: -34.036
tors. eta vs tors. theta energy: -70.757
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: 2
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -753.949972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.949972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.949972 (E_RNA)
where:
Base-Base interactions energy: -504.369
where: short stacking energy: -221.553
Base-Backbone interact. energy: -1.947
local terms energy: -247.634406
where:
bonds (distance) C4'-P energy: -51.452
bonds (distance) P-C4' energy: -57.053
flat angles C4'-P-C4' energy: -54.265
flat angles P-C4'-P energy: -25.444
tors. eta vs tors. theta energy: -59.420
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: 6
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -739.030349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.030349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.030349 (E_RNA)
where:
Base-Base interactions energy: -499.119
where: short stacking energy: -211.362
Base-Backbone interact. energy: -1.226
local terms energy: -238.685430
where:
bonds (distance) C4'-P energy: -47.754
bonds (distance) P-C4' energy: -53.861
flat angles C4'-P-C4' energy: -50.029
flat angles P-C4'-P energy: -31.965
tors. eta vs tors. theta energy: -55.076
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: 7
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -628.968003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.968003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.968003 (E_RNA)
where:
Base-Base interactions energy: -432.971
where: short stacking energy: -204.050
Base-Backbone interact. energy: -0.721
local terms energy: -195.275894
where:
bonds (distance) C4'-P energy: -37.265
bonds (distance) P-C4' energy: -43.527
flat angles C4'-P-C4' energy: -45.021
flat angles P-C4'-P energy: -26.492
tors. eta vs tors. theta energy: -42.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -569.956691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.956691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.956691 (E_RNA)
where:
Base-Base interactions energy: -366.965
where: short stacking energy: -167.145
Base-Backbone interact. energy: -0.673
local terms energy: -202.319178
where:
bonds (distance) C4'-P energy: -40.706
bonds (distance) P-C4' energy: -43.722
flat angles C4'-P-C4' energy: -51.692
flat angles P-C4'-P energy: -28.201
tors. eta vs tors. theta energy: -37.999
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: 10
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -252.243570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.243570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.243570 (E_RNA)
where:
Base-Base interactions energy: -89.612
where: short stacking energy: -73.010
Base-Backbone interact. energy: -1.395
local terms energy: -161.236871
where:
bonds (distance) C4'-P energy: -50.359
bonds (distance) P-C4' energy: -44.534
flat angles C4'-P-C4' energy: -36.843
flat angles P-C4'-P energy: -26.781
tors. eta vs tors. theta energy: -2.721
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: 10, replica: 9
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -322.486647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.486647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.486647 (E_RNA)
where:
Base-Base interactions energy: -152.905
where: short stacking energy: -83.655
Base-Backbone interact. energy: 0.167
local terms energy: -169.748552
where:
bonds (distance) C4'-P energy: -38.791
bonds (distance) P-C4' energy: -42.049
flat angles C4'-P-C4' energy: -46.313
flat angles P-C4'-P energy: -28.760
tors. eta vs tors. theta energy: -13.836
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: 4
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -924.370808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.370808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.370808 (E_RNA)
where:
Base-Base interactions energy: -634.059
where: short stacking energy: -275.024
Base-Backbone interact. energy: -2.100
local terms energy: -288.211183
where:
bonds (distance) C4'-P energy: -51.931
bonds (distance) P-C4' energy: -61.084
flat angles C4'-P-C4' energy: -61.092
flat angles P-C4'-P energy: -40.652
tors. eta vs tors. theta energy: -73.452
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: 2, replica: 1
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -901.759219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.759219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.759219 (E_RNA)
where:
Base-Base interactions energy: -623.335
where: short stacking energy: -255.609
Base-Backbone interact. energy: -0.503
local terms energy: -277.921124
where:
bonds (distance) C4'-P energy: -50.982
bonds (distance) P-C4' energy: -54.262
flat angles C4'-P-C4' energy: -62.130
flat angles P-C4'-P energy: -35.984
tors. eta vs tors. theta energy: -74.563
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: 5
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -881.384976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.384976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.384976 (E_RNA)
where:
Base-Base interactions energy: -615.651
where: short stacking energy: -265.031
Base-Backbone interact. energy: -0.423
local terms energy: -265.311276
where:
bonds (distance) C4'-P energy: -52.773
bonds (distance) P-C4' energy: -43.279
flat angles C4'-P-C4' energy: -58.101
flat angles P-C4'-P energy: -42.180
tors. eta vs tors. theta energy: -68.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -848.341551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.341551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.341551 (E_RNA)
where:
Base-Base interactions energy: -578.996
where: short stacking energy: -250.956
Base-Backbone interact. energy: -1.791
local terms energy: -267.554697
where:
bonds (distance) C4'-P energy: -45.579
bonds (distance) P-C4' energy: -54.177
flat angles C4'-P-C4' energy: -59.263
flat angles P-C4'-P energy: -37.889
tors. eta vs tors. theta energy: -70.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -717.755469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.755469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.755469 (E_RNA)
where:
Base-Base interactions energy: -495.390
where: short stacking energy: -212.862
Base-Backbone interact. energy: 0.920
local terms energy: -223.284709
where:
bonds (distance) C4'-P energy: -35.815
bonds (distance) P-C4' energy: -50.871
flat angles C4'-P-C4' energy: -50.757
flat angles P-C4'-P energy: -31.212
tors. eta vs tors. theta energy: -54.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -673.275181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.275181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.275181 (E_RNA)
where:
Base-Base interactions energy: -451.198
where: short stacking energy: -183.596
Base-Backbone interact. energy: -0.600
local terms energy: -221.477403
where:
bonds (distance) C4'-P energy: -47.562
bonds (distance) P-C4' energy: -45.204
flat angles C4'-P-C4' energy: -49.326
flat angles P-C4'-P energy: -34.950
tors. eta vs tors. theta energy: -44.434
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: 8
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -598.306455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.306455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.306455 (E_RNA)
where:
Base-Base interactions energy: -386.146
where: short stacking energy: -169.998
Base-Backbone interact. energy: -0.496
local terms energy: -211.663891
where:
bonds (distance) C4'-P energy: -43.169
bonds (distance) P-C4' energy: -38.982
flat angles C4'-P-C4' energy: -51.265
flat angles P-C4'-P energy: -34.105
tors. eta vs tors. theta energy: -44.141
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: 8, replica: 7
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -578.726488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.726488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.726488 (E_RNA)
where:
Base-Base interactions energy: -400.479
where: short stacking energy: -166.639
Base-Backbone interact. energy: -0.864
local terms energy: -177.383552
where:
bonds (distance) C4'-P energy: -36.889
bonds (distance) P-C4' energy: -39.411
flat angles C4'-P-C4' energy: -39.503
flat angles P-C4'-P energy: -27.540
tors. eta vs tors. theta energy: -34.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -334.825146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.825146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.825146 (E_RNA)
where:
Base-Base interactions energy: -167.968
where: short stacking energy: -103.477
Base-Backbone interact. energy: 0.703
local terms energy: -167.559776
where:
bonds (distance) C4'-P energy: -45.637
bonds (distance) P-C4' energy: -46.547
flat angles C4'-P-C4' energy: -48.406
flat angles P-C4'-P energy: -26.279
tors. eta vs tors. theta energy: -0.689
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: 10
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -230.625132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.625132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.625132 (E_RNA)
where:
Base-Base interactions energy: -86.199
where: short stacking energy: -72.539
Base-Backbone interact. energy: 2.817
local terms energy: -147.243588
where:
bonds (distance) C4'-P energy: -43.951
bonds (distance) P-C4' energy: -43.929
flat angles C4'-P-C4' energy: -42.829
flat angles P-C4'-P energy: -12.042
tors. eta vs tors. theta energy: -4.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -919.411475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.411475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.411475 (E_RNA)
where:
Base-Base interactions energy: -635.589
where: short stacking energy: -267.977
Base-Backbone interact. energy: -2.038
local terms energy: -281.784386
where:
bonds (distance) C4'-P energy: -55.499
bonds (distance) P-C4' energy: -49.776
flat angles C4'-P-C4' energy: -58.897
flat angles P-C4'-P energy: -45.675
tors. eta vs tors. theta energy: -71.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -890.660793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.660793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.660793 (E_RNA)
where:
Base-Base interactions energy: -616.343
where: short stacking energy: -257.206
Base-Backbone interact. energy: -1.930
local terms energy: -272.387530
where:
bonds (distance) C4'-P energy: -46.086
bonds (distance) P-C4' energy: -53.872
flat angles C4'-P-C4' energy: -62.158
flat angles P-C4'-P energy: -40.387
tors. eta vs tors. theta energy: -69.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -869.266150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.266150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.266150 (E_RNA)
where:
Base-Base interactions energy: -604.114
where: short stacking energy: -243.925
Base-Backbone interact. energy: -0.922
local terms energy: -264.229945
where:
bonds (distance) C4'-P energy: -48.798
bonds (distance) P-C4' energy: -53.011
flat angles C4'-P-C4' energy: -56.320
flat angles P-C4'-P energy: -37.243
tors. eta vs tors. theta energy: -68.858
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: 4, replica: 3
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -839.437311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.437311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.437311 (E_RNA)
where:
Base-Base interactions energy: -579.698
where: short stacking energy: -257.266
Base-Backbone interact. energy: 1.418
local terms energy: -261.157333
where:
bonds (distance) C4'-P energy: -45.083
bonds (distance) P-C4' energy: -51.438
flat angles C4'-P-C4' energy: -54.288
flat angles P-C4'-P energy: -39.352
tors. eta vs tors. theta energy: -70.996
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: 5, replica: 6
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -750.336873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.336873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.336873 (E_RNA)
where:
Base-Base interactions energy: -512.093
where: short stacking energy: -234.037
Base-Backbone interact. energy: -2.702
local terms energy: -235.541373
where:
bonds (distance) C4'-P energy: -50.397
bonds (distance) P-C4' energy: -47.122
flat angles C4'-P-C4' energy: -49.341
flat angles P-C4'-P energy: -33.344
tors. eta vs tors. theta energy: -55.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -656.847790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.847790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.847790 (E_RNA)
where:
Base-Base interactions energy: -428.086
where: short stacking energy: -191.987
Base-Backbone interact. energy: -1.004
local terms energy: -227.757685
where:
bonds (distance) C4'-P energy: -48.006
bonds (distance) P-C4' energy: -50.465
flat angles C4'-P-C4' energy: -56.939
flat angles P-C4'-P energy: -25.446
tors. eta vs tors. theta energy: -46.901
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: 7, replica: 8
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -600.543352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.543352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.543352 (E_RNA)
where:
Base-Base interactions energy: -394.883
where: short stacking energy: -166.439
Base-Backbone interact. energy: 0.808
local terms energy: -206.468480
where:
bonds (distance) C4'-P energy: -36.804
bonds (distance) P-C4' energy: -41.083
flat angles C4'-P-C4' energy: -49.235
flat angles P-C4'-P energy: -42.418
tors. eta vs tors. theta energy: -36.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -580.571488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.571488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.571488 (E_RNA)
where:
Base-Base interactions energy: -399.717
where: short stacking energy: -171.337
Base-Backbone interact. energy: 1.481
local terms energy: -182.335413
where:
bonds (distance) C4'-P energy: -37.053
bonds (distance) P-C4' energy: -45.321
flat angles C4'-P-C4' energy: -42.203
flat angles P-C4'-P energy: -22.494
tors. eta vs tors. theta energy: -35.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -276.617117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.617117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.617117 (E_RNA)
where:
Base-Base interactions energy: -100.684
where: short stacking energy: -52.574
Base-Backbone interact. energy: 1.647
local terms energy: -177.580044
where:
bonds (distance) C4'-P energy: -49.117
bonds (distance) P-C4' energy: -50.310
flat angles C4'-P-C4' energy: -43.376
flat angles P-C4'-P energy: -37.523
tors. eta vs tors. theta energy: 2.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -256.831390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.831390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.831390 (E_RNA)
where:
Base-Base interactions energy: -128.520
where: short stacking energy: -69.205
Base-Backbone interact. energy: 0.001
local terms energy: -128.312317
where:
bonds (distance) C4'-P energy: -48.296
bonds (distance) P-C4' energy: -31.998
flat angles C4'-P-C4' energy: -36.247
flat angles P-C4'-P energy: -15.911
tors. eta vs tors. theta energy: 4.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -912.147913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.147913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.147913 (E_RNA)
where:
Base-Base interactions energy: -638.474
where: short stacking energy: -283.234
Base-Backbone interact. energy: 1.135
local terms energy: -274.808554
where:
bonds (distance) C4'-P energy: -56.423
bonds (distance) P-C4' energy: -46.211
flat angles C4'-P-C4' energy: -61.600
flat angles P-C4'-P energy: -36.643
tors. eta vs tors. theta energy: -73.931
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: 2, replica: 1
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -894.397020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.397020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.397020 (E_RNA)
where:
Base-Base interactions energy: -618.722
where: short stacking energy: -257.209
Base-Backbone interact. energy: -2.274
local terms energy: -273.401147
where:
bonds (distance) C4'-P energy: -47.832
bonds (distance) P-C4' energy: -59.141
flat angles C4'-P-C4' energy: -55.688
flat angles P-C4'-P energy: -36.513
tors. eta vs tors. theta energy: -74.227
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: 3, replica: 5
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -863.576441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.576441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.576441 (E_RNA)
where:
Base-Base interactions energy: -603.347
where: short stacking energy: -244.960
Base-Backbone interact. energy: -1.972
local terms energy: -258.257148
where:
bonds (distance) C4'-P energy: -55.154
bonds (distance) P-C4' energy: -49.682
flat angles C4'-P-C4' energy: -52.551
flat angles P-C4'-P energy: -36.095
tors. eta vs tors. theta energy: -64.776
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: 3
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -862.627466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.627466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.627466 (E_RNA)
where:
Base-Base interactions energy: -601.472
where: short stacking energy: -250.437
Base-Backbone interact. energy: -1.599
local terms energy: -259.556466
where:
bonds (distance) C4'-P energy: -46.703
bonds (distance) P-C4' energy: -56.476
flat angles C4'-P-C4' energy: -57.777
flat angles P-C4'-P energy: -39.098
tors. eta vs tors. theta energy: -59.504
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: 6
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -777.680741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.680741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.680741 (E_RNA)
where:
Base-Base interactions energy: -541.420
where: short stacking energy: -253.941
Base-Backbone interact. energy: 0.997
local terms energy: -237.258252
where:
bonds (distance) C4'-P energy: -41.772
bonds (distance) P-C4' energy: -48.663
flat angles C4'-P-C4' energy: -52.341
flat angles P-C4'-P energy: -35.338
tors. eta vs tors. theta energy: -59.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -681.264126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.264126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.264126 (E_RNA)
where:
Base-Base interactions energy: -453.138
where: short stacking energy: -196.833
Base-Backbone interact. energy: -2.275
local terms energy: -225.851879
where:
bonds (distance) C4'-P energy: -33.730
bonds (distance) P-C4' energy: -46.141
flat angles C4'-P-C4' energy: -54.247
flat angles P-C4'-P energy: -39.288
tors. eta vs tors. theta energy: -52.446
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: 8
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -568.785088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.785088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.785088 (E_RNA)
where:
Base-Base interactions energy: -376.436
where: short stacking energy: -170.821
Base-Backbone interact. energy: -0.425
local terms energy: -191.923932
where:
bonds (distance) C4'-P energy: -31.462
bonds (distance) P-C4' energy: -40.474
flat angles C4'-P-C4' energy: -46.275
flat angles P-C4'-P energy: -35.220
tors. eta vs tors. theta energy: -38.493
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: 7
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -606.133241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.133241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.133241 (E_RNA)
where:
Base-Base interactions energy: -412.145
where: short stacking energy: -182.043
Base-Backbone interact. energy: -0.543
local terms energy: -193.445078
where:
bonds (distance) C4'-P energy: -49.109
bonds (distance) P-C4' energy: -43.724
flat angles C4'-P-C4' energy: -49.876
flat angles P-C4'-P energy: -19.023
tors. eta vs tors. theta energy: -31.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -243.228088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.228088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.228088 (E_RNA)
where:
Base-Base interactions energy: -84.743
where: short stacking energy: -76.270
Base-Backbone interact. energy: 0.961
local terms energy: -159.446293
where:
bonds (distance) C4'-P energy: -46.312
bonds (distance) P-C4' energy: -51.080
flat angles C4'-P-C4' energy: -38.556
flat angles P-C4'-P energy: -20.306
tors. eta vs tors. theta energy: -3.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -227.028748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.028748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.028748 (E_RNA)
where:
Base-Base interactions energy: -90.617
where: short stacking energy: -76.159
Base-Backbone interact. energy: -0.505
local terms energy: -135.906183
where:
bonds (distance) C4'-P energy: -34.976
bonds (distance) P-C4' energy: -54.351
flat angles C4'-P-C4' energy: -29.342
flat angles P-C4'-P energy: -17.893
tors. eta vs tors. theta energy: 0.656
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: 4
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -935.650845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.650845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.650845 (E_RNA)
where:
Base-Base interactions energy: -648.295
where: short stacking energy: -282.749
Base-Backbone interact. energy: -0.893
local terms energy: -286.463294
where:
bonds (distance) C4'-P energy: -51.017
bonds (distance) P-C4' energy: -53.474
flat angles C4'-P-C4' energy: -60.232
flat angles P-C4'-P energy: -44.863
tors. eta vs tors. theta energy: -76.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -896.280574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.280574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.280574 (E_RNA)
where:
Base-Base interactions energy: -618.377
where: short stacking energy: -258.375
Base-Backbone interact. energy: 1.182
local terms energy: -279.085751
where:
bonds (distance) C4'-P energy: -46.658
bonds (distance) P-C4' energy: -58.588
flat angles C4'-P-C4' energy: -59.731
flat angles P-C4'-P energy: -39.406
tors. eta vs tors. theta energy: -74.703
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: 3, replica: 5
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -858.668072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.668072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.668072 (E_RNA)
where:
Base-Base interactions energy: -608.126
where: short stacking energy: -242.721
Base-Backbone interact. energy: -2.102
local terms energy: -248.440404
where:
bonds (distance) C4'-P energy: -40.677
bonds (distance) P-C4' energy: -52.205
flat angles C4'-P-C4' energy: -55.513
flat angles P-C4'-P energy: -40.323
tors. eta vs tors. theta energy: -59.723
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: 4, replica: 3
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -854.685219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.685219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.685219 (E_RNA)
where:
Base-Base interactions energy: -603.396
where: short stacking energy: -253.324
Base-Backbone interact. energy: -0.890
local terms energy: -250.399299
where:
bonds (distance) C4'-P energy: -54.985
bonds (distance) P-C4' energy: -47.189
flat angles C4'-P-C4' energy: -51.658
flat angles P-C4'-P energy: -26.508
tors. eta vs tors. theta energy: -70.060
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: 5, replica: 6
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -776.858632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.858632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.858632 (E_RNA)
where:
Base-Base interactions energy: -550.477
where: short stacking energy: -233.149
Base-Backbone interact. energy: 0.463
local terms energy: -226.845101
where:
bonds (distance) C4'-P energy: -37.094
bonds (distance) P-C4' energy: -54.327
flat angles C4'-P-C4' energy: -44.597
flat angles P-C4'-P energy: -32.394
tors. eta vs tors. theta energy: -58.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -671.478071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.478071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.478071 (E_RNA)
where:
Base-Base interactions energy: -450.611
where: short stacking energy: -197.427
Base-Backbone interact. energy: -0.826
local terms energy: -220.040635
where:
bonds (distance) C4'-P energy: -50.396
bonds (distance) P-C4' energy: -53.629
flat angles C4'-P-C4' energy: -43.501
flat angles P-C4'-P energy: -28.944
tors. eta vs tors. theta energy: -43.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -577.052244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.052244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.052244 (E_RNA)
where:
Base-Base interactions energy: -359.757
where: short stacking energy: -167.543
Base-Backbone interact. energy: -0.501
local terms energy: -216.793648
where:
bonds (distance) C4'-P energy: -40.735
bonds (distance) P-C4' energy: -51.626
flat angles C4'-P-C4' energy: -56.608
flat angles P-C4'-P energy: -33.737
tors. eta vs tors. theta energy: -34.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -563.891979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.891979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.891979 (E_RNA)
where:
Base-Base interactions energy: -380.394
where: short stacking energy: -167.560
Base-Backbone interact. energy: -0.618
local terms energy: -182.879912
where:
bonds (distance) C4'-P energy: -40.273
bonds (distance) P-C4' energy: -41.085
flat angles C4'-P-C4' energy: -43.944
flat angles P-C4'-P energy: -29.275
tors. eta vs tors. theta energy: -28.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -267.771120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.771120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.771120 (E_RNA)
where:
Base-Base interactions energy: -131.704
where: short stacking energy: -88.504
Base-Backbone interact. energy: 3.082
local terms energy: -139.149789
where:
bonds (distance) C4'-P energy: -48.332
bonds (distance) P-C4' energy: -36.464
flat angles C4'-P-C4' energy: -32.644
flat angles P-C4'-P energy: -22.313
tors. eta vs tors. theta energy: 0.605
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: 9
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -220.800170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.800170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.800170 (E_RNA)
where:
Base-Base interactions energy: -81.789
where: short stacking energy: -68.245
Base-Backbone interact. energy: -0.364
local terms energy: -138.647709
where:
bonds (distance) C4'-P energy: -43.120
bonds (distance) P-C4' energy: -34.424
flat angles C4'-P-C4' energy: -35.700
flat angles P-C4'-P energy: -27.345
tors. eta vs tors. theta energy: 1.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -919.970952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.970952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.970952 (E_RNA)
where:
Base-Base interactions energy: -650.914
where: short stacking energy: -282.810
Base-Backbone interact. energy: -0.095
local terms energy: -268.962093
where:
bonds (distance) C4'-P energy: -44.918
bonds (distance) P-C4' energy: -45.990
flat angles C4'-P-C4' energy: -62.852
flat angles P-C4'-P energy: -41.335
tors. eta vs tors. theta energy: -73.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -921.291209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.291209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.291209 (E_RNA)
where:
Base-Base interactions energy: -643.693
where: short stacking energy: -269.972
Base-Backbone interact. energy: 0.284
local terms energy: -277.882192
where:
bonds (distance) C4'-P energy: -45.022
bonds (distance) P-C4' energy: -54.803
flat angles C4'-P-C4' energy: -58.626
flat angles P-C4'-P energy: -40.858
tors. eta vs tors. theta energy: -78.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -839.332656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.332656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.332656 (E_RNA)
where:
Base-Base interactions energy: -572.038
where: short stacking energy: -245.697
Base-Backbone interact. energy: -1.448
local terms energy: -265.845820
where:
bonds (distance) C4'-P energy: -56.647
bonds (distance) P-C4' energy: -50.944
flat angles C4'-P-C4' energy: -56.357
flat angles P-C4'-P energy: -39.077
tors. eta vs tors. theta energy: -62.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -855.585455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.585455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.585455 (E_RNA)
where:
Base-Base interactions energy: -610.772
where: short stacking energy: -269.739
Base-Backbone interact. energy: -2.933
local terms energy: -241.879714
where:
bonds (distance) C4'-P energy: -35.165
bonds (distance) P-C4' energy: -41.039
flat angles C4'-P-C4' energy: -55.442
flat angles P-C4'-P energy: -38.008
tors. eta vs tors. theta energy: -72.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -782.046545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.046545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.046545 (E_RNA)
where:
Base-Base interactions energy: -535.910
where: short stacking energy: -243.772
Base-Backbone interact. energy: 0.151
local terms energy: -246.287129
where:
bonds (distance) C4'-P energy: -42.464
bonds (distance) P-C4' energy: -54.304
flat angles C4'-P-C4' energy: -55.630
flat angles P-C4'-P energy: -36.785
tors. eta vs tors. theta energy: -57.104
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: 2
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -695.138913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.138913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.138913 (E_RNA)
where:
Base-Base interactions energy: -463.789
where: short stacking energy: -203.054
Base-Backbone interact. energy: 2.743
local terms energy: -234.093499
where:
bonds (distance) C4'-P energy: -43.038
bonds (distance) P-C4' energy: -50.412
flat angles C4'-P-C4' energy: -51.745
flat angles P-C4'-P energy: -30.369
tors. eta vs tors. theta energy: -58.529
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: 8
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -584.408607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.408607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.408607 (E_RNA)
where:
Base-Base interactions energy: -356.105
where: short stacking energy: -173.236
Base-Backbone interact. energy: -0.662
local terms energy: -227.641385
where:
bonds (distance) C4'-P energy: -43.901
bonds (distance) P-C4' energy: -49.170
flat angles C4'-P-C4' energy: -50.426
flat angles P-C4'-P energy: -40.806
tors. eta vs tors. theta energy: -43.338
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: 7
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -545.028930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.028930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.028930 (E_RNA)
where:
Base-Base interactions energy: -366.531
where: short stacking energy: -151.125
Base-Backbone interact. energy: -2.159
local terms energy: -176.339057
where:
bonds (distance) C4'-P energy: -37.481
bonds (distance) P-C4' energy: -45.361
flat angles C4'-P-C4' energy: -39.806
flat angles P-C4'-P energy: -26.557
tors. eta vs tors. theta energy: -27.133
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: 10
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -295.398219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.398219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.398219 (E_RNA)
where:
Base-Base interactions energy: -130.466
where: short stacking energy: -90.064
Base-Backbone interact. energy: -0.103
local terms energy: -164.830133
where:
bonds (distance) C4'-P energy: -42.340
bonds (distance) P-C4' energy: -45.365
flat angles C4'-P-C4' energy: -38.558
flat angles P-C4'-P energy: -24.260
tors. eta vs tors. theta energy: -14.307
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: 9
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -237.144876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.144876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.144876 (E_RNA)
where:
Base-Base interactions energy: -76.288
where: short stacking energy: -65.039
Base-Backbone interact. energy: -0.786
local terms energy: -160.071297
where:
bonds (distance) C4'-P energy: -43.145
bonds (distance) P-C4' energy: -38.604
flat angles C4'-P-C4' energy: -45.087
flat angles P-C4'-P energy: -28.165
tors. eta vs tors. theta energy: -5.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -917.473462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.473462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.473462 (E_RNA)
where:
Base-Base interactions energy: -630.596
where: short stacking energy: -270.612
Base-Backbone interact. energy: -1.415
local terms energy: -285.461681
where:
bonds (distance) C4'-P energy: -54.987
bonds (distance) P-C4' energy: -51.087
flat angles C4'-P-C4' energy: -61.964
flat angles P-C4'-P energy: -43.194
tors. eta vs tors. theta energy: -74.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -904.379054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.379054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.379054 (E_RNA)
where:
Base-Base interactions energy: -643.170
where: short stacking energy: -263.725
Base-Backbone interact. energy: -0.067
local terms energy: -261.141820
where:
bonds (distance) C4'-P energy: -42.929
bonds (distance) P-C4' energy: -49.495
flat angles C4'-P-C4' energy: -55.071
flat angles P-C4'-P energy: -38.785
tors. eta vs tors. theta energy: -74.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -838.163547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.163547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.163547 (E_RNA)
where:
Base-Base interactions energy: -578.115
where: short stacking energy: -251.049
Base-Backbone interact. energy: -1.782
local terms energy: -258.266526
where:
bonds (distance) C4'-P energy: -46.780
bonds (distance) P-C4' energy: -50.389
flat angles C4'-P-C4' energy: -58.796
flat angles P-C4'-P energy: -36.461
tors. eta vs tors. theta energy: -65.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -849.786150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.786150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.786150 (E_RNA)
where:
Base-Base interactions energy: -581.642
where: short stacking energy: -247.547
Base-Backbone interact. energy: -1.462
local terms energy: -266.682057
where:
bonds (distance) C4'-P energy: -39.738
bonds (distance) P-C4' energy: -48.164
flat angles C4'-P-C4' energy: -59.431
flat angles P-C4'-P energy: -45.870
tors. eta vs tors. theta energy: -73.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -758.852555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.852555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.852555 (E_RNA)
where:
Base-Base interactions energy: -526.461
where: short stacking energy: -232.934
Base-Backbone interact. energy: -3.190
local terms energy: -229.201340
where:
bonds (distance) C4'-P energy: -46.199
bonds (distance) P-C4' energy: -46.080
flat angles C4'-P-C4' energy: -48.596
flat angles P-C4'-P energy: -33.222
tors. eta vs tors. theta energy: -55.104
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: 2
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -688.125328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.125328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.125328 (E_RNA)
where:
Base-Base interactions energy: -446.696
where: short stacking energy: -191.359
Base-Backbone interact. energy: -0.771
local terms energy: -240.658467
where:
bonds (distance) C4'-P energy: -50.092
bonds (distance) P-C4' energy: -51.527
flat angles C4'-P-C4' energy: -53.488
flat angles P-C4'-P energy: -36.519
tors. eta vs tors. theta energy: -49.032
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: 8
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -634.428114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.428114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.428114 (E_RNA)
where:
Base-Base interactions energy: -419.417
where: short stacking energy: -205.366
Base-Backbone interact. energy: -0.907
local terms energy: -214.104766
where:
bonds (distance) C4'-P energy: -45.859
bonds (distance) P-C4' energy: -54.972
flat angles C4'-P-C4' energy: -47.569
flat angles P-C4'-P energy: -20.120
tors. eta vs tors. theta energy: -45.585
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: 7
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -547.329592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.329592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.329592 (E_RNA)
where:
Base-Base interactions energy: -353.634
where: short stacking energy: -146.516
Base-Backbone interact. energy: -1.325
local terms energy: -192.371187
where:
bonds (distance) C4'-P energy: -37.166
bonds (distance) P-C4' energy: -46.769
flat angles C4'-P-C4' energy: -43.772
flat angles P-C4'-P energy: -32.593
tors. eta vs tors. theta energy: -32.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -252.231768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.231768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.231768 (E_RNA)
where:
Base-Base interactions energy: -91.375
where: short stacking energy: -65.272
Base-Backbone interact. energy: -1.354
local terms energy: -159.502193
where:
bonds (distance) C4'-P energy: -38.880
bonds (distance) P-C4' energy: -50.786
flat angles C4'-P-C4' energy: -33.612
flat angles P-C4'-P energy: -25.735
tors. eta vs tors. theta energy: -10.489
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: 10, replica: 9
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -226.235592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.235592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.235592 (E_RNA)
where:
Base-Base interactions energy: -76.826
where: short stacking energy: -71.186
Base-Backbone interact. energy: -0.531
local terms energy: -148.878787
where:
bonds (distance) C4'-P energy: -44.717
bonds (distance) P-C4' energy: -54.817
flat angles C4'-P-C4' energy: -32.372
flat angles P-C4'-P energy: -14.942
tors. eta vs tors. theta energy: -2.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -919.506164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.506164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.506164 (E_RNA)
where:
Base-Base interactions energy: -646.718
where: short stacking energy: -280.448
Base-Backbone interact. energy: 1.396
local terms energy: -274.184884
where:
bonds (distance) C4'-P energy: -53.684
bonds (distance) P-C4' energy: -49.717
flat angles C4'-P-C4' energy: -58.889
flat angles P-C4'-P energy: -37.352
tors. eta vs tors. theta energy: -74.543
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: 1
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -899.528637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.528637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.528637 (E_RNA)
where:
Base-Base interactions energy: -628.794
where: short stacking energy: -258.904
Base-Backbone interact. energy: -1.544
local terms energy: -269.191100
where:
bonds (distance) C4'-P energy: -54.195
bonds (distance) P-C4' energy: -43.622
flat angles C4'-P-C4' energy: -54.824
flat angles P-C4'-P energy: -41.686
tors. eta vs tors. theta energy: -74.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -857.297833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.297833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.297833 (E_RNA)
where:
Base-Base interactions energy: -589.532
where: short stacking energy: -257.256
Base-Backbone interact. energy: 0.929
local terms energy: -268.694906
where:
bonds (distance) C4'-P energy: -48.840
bonds (distance) P-C4' energy: -52.732
flat angles C4'-P-C4' energy: -57.339
flat angles P-C4'-P energy: -35.743
tors. eta vs tors. theta energy: -74.041
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: 4, replica: 3
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -856.751774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.751774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.751774 (E_RNA)
where:
Base-Base interactions energy: -601.007
where: short stacking energy: -259.038
Base-Backbone interact. energy: -0.227
local terms energy: -255.517998
where:
bonds (distance) C4'-P energy: -47.032
bonds (distance) P-C4' energy: -49.712
flat angles C4'-P-C4' energy: -55.684
flat angles P-C4'-P energy: -36.508
tors. eta vs tors. theta energy: -66.582
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: 6
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -755.390362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.390362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.390362 (E_RNA)
where:
Base-Base interactions energy: -520.721
where: short stacking energy: -218.243
Base-Backbone interact. energy: -0.950
local terms energy: -233.719542
where:
bonds (distance) C4'-P energy: -44.728
bonds (distance) P-C4' energy: -47.593
flat angles C4'-P-C4' energy: -55.004
flat angles P-C4'-P energy: -31.372
tors. eta vs tors. theta energy: -55.022
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: 2
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -676.700847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.700847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.700847 (E_RNA)
where:
Base-Base interactions energy: -456.736
where: short stacking energy: -200.174
Base-Backbone interact. energy: -1.874
local terms energy: -218.090914
where:
bonds (distance) C4'-P energy: -35.378
bonds (distance) P-C4' energy: -54.799
flat angles C4'-P-C4' energy: -56.279
flat angles P-C4'-P energy: -26.153
tors. eta vs tors. theta energy: -45.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -578.425342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.425342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.425342 (E_RNA)
where:
Base-Base interactions energy: -386.620
where: short stacking energy: -161.982
Base-Backbone interact. energy: 0.824
local terms energy: -192.629358
where:
bonds (distance) C4'-P energy: -42.113
bonds (distance) P-C4' energy: -41.214
flat angles C4'-P-C4' energy: -54.194
flat angles P-C4'-P energy: -32.687
tors. eta vs tors. theta energy: -22.421
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: 7
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -564.088348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.088348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.088348 (E_RNA)
where:
Base-Base interactions energy: -379.096
where: short stacking energy: -155.781
Base-Backbone interact. energy: 1.386
local terms energy: -186.378340
where:
bonds (distance) C4'-P energy: -50.848
bonds (distance) P-C4' energy: -46.051
flat angles C4'-P-C4' energy: -32.772
flat angles P-C4'-P energy: -20.317
tors. eta vs tors. theta energy: -36.389
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: 9
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -238.156260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.156260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.156260 (E_RNA)
where:
Base-Base interactions energy: -84.245
where: short stacking energy: -73.869
Base-Backbone interact. energy: 1.944
local terms energy: -155.855189
where:
bonds (distance) C4'-P energy: -56.128
bonds (distance) P-C4' energy: -48.063
flat angles C4'-P-C4' energy: -35.814
flat angles P-C4'-P energy: -26.558
tors. eta vs tors. theta energy: 10.708
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: 10
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -230.717042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.717042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.717042 (E_RNA)
where:
Base-Base interactions energy: -102.397
where: short stacking energy: -65.361
Base-Backbone interact. energy: 5.488
local terms energy: -133.807327
where:
bonds (distance) C4'-P energy: -41.311
bonds (distance) P-C4' energy: -32.297
flat angles C4'-P-C4' energy: -36.419
flat angles P-C4'-P energy: -27.951
tors. eta vs tors. theta energy: 4.171
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: 4
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -933.361471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.361471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.361471 (E_RNA)
where:
Base-Base interactions energy: -644.467
where: short stacking energy: -269.038
Base-Backbone interact. energy: -1.344
local terms energy: -287.549887
where:
bonds (distance) C4'-P energy: -58.105
bonds (distance) P-C4' energy: -51.489
flat angles C4'-P-C4' energy: -62.060
flat angles P-C4'-P energy: -39.060
tors. eta vs tors. theta energy: -76.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -896.108845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.108845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.108845 (E_RNA)
where:
Base-Base interactions energy: -613.679
where: short stacking energy: -255.015
Base-Backbone interact. energy: -0.062
local terms energy: -282.367495
where:
bonds (distance) C4'-P energy: -52.861
bonds (distance) P-C4' energy: -58.278
flat angles C4'-P-C4' energy: -51.619
flat angles P-C4'-P energy: -43.087
tors. eta vs tors. theta energy: -76.522
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: 5
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -853.324852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.324852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.324852 (E_RNA)
where:
Base-Base interactions energy: -591.361
where: short stacking energy: -240.744
Base-Backbone interact. energy: -1.504
local terms energy: -260.460071
where:
bonds (distance) C4'-P energy: -45.602
bonds (distance) P-C4' energy: -50.522
flat angles C4'-P-C4' energy: -62.584
flat angles P-C4'-P energy: -32.663
tors. eta vs tors. theta energy: -69.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -834.095099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.095099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.095099 (E_RNA)
where:
Base-Base interactions energy: -580.853
where: short stacking energy: -247.271
Base-Backbone interact. energy: 0.144
local terms energy: -253.385666
where:
bonds (distance) C4'-P energy: -49.080
bonds (distance) P-C4' energy: -43.926
flat angles C4'-P-C4' energy: -52.176
flat angles P-C4'-P energy: -39.649
tors. eta vs tors. theta energy: -68.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -760.623373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.623373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.623373 (E_RNA)
where:
Base-Base interactions energy: -511.650
where: short stacking energy: -213.412
Base-Backbone interact. energy: 1.025
local terms energy: -249.998563
where:
bonds (distance) C4'-P energy: -53.196
bonds (distance) P-C4' energy: -49.655
flat angles C4'-P-C4' energy: -58.949
flat angles P-C4'-P energy: -37.761
tors. eta vs tors. theta energy: -50.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -637.284982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.284982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.284982 (E_RNA)
where:
Base-Base interactions energy: -412.898
where: short stacking energy: -187.822
Base-Backbone interact. energy: 0.198
local terms energy: -224.585002
where:
bonds (distance) C4'-P energy: -45.683
bonds (distance) P-C4' energy: -42.863
flat angles C4'-P-C4' energy: -58.316
flat angles P-C4'-P energy: -34.001
tors. eta vs tors. theta energy: -43.722
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: 2
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -619.137933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.137933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.137933 (E_RNA)
where:
Base-Base interactions energy: -408.193
where: short stacking energy: -170.141
Base-Backbone interact. energy: -1.351
local terms energy: -209.593869
where:
bonds (distance) C4'-P energy: -51.144
bonds (distance) P-C4' energy: -46.030
flat angles C4'-P-C4' energy: -43.219
flat angles P-C4'-P energy: -30.453
tors. eta vs tors. theta energy: -38.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -596.777239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.777239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.777239 (E_RNA)
where:
Base-Base interactions energy: -391.590
where: short stacking energy: -181.419
Base-Backbone interact. energy: -1.189
local terms energy: -203.998371
where:
bonds (distance) C4'-P energy: -44.099
bonds (distance) P-C4' energy: -48.048
flat angles C4'-P-C4' energy: -45.475
flat angles P-C4'-P energy: -33.669
tors. eta vs tors. theta energy: -32.707
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: 9, replica: 9
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -253.350866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.350866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.350866 (E_RNA)
where:
Base-Base interactions energy: -80.366
where: short stacking energy: -74.644
Base-Backbone interact. energy: -0.589
local terms energy: -172.395818
where:
bonds (distance) C4'-P energy: -54.662
bonds (distance) P-C4' energy: -42.871
flat angles C4'-P-C4' energy: -40.280
flat angles P-C4'-P energy: -25.288
tors. eta vs tors. theta energy: -9.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -231.780402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.780402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.780402 (E_RNA)
where:
Base-Base interactions energy: -93.192
where: short stacking energy: -85.775
Base-Backbone interact. energy: 1.702
local terms energy: -140.290164
where:
bonds (distance) C4'-P energy: -42.431
bonds (distance) P-C4' energy: -46.404
flat angles C4'-P-C4' energy: -33.628
flat angles P-C4'-P energy: -23.668
tors. eta vs tors. theta energy: 5.841
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: 4
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -934.756274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.756274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.756274 (E_RNA)
where:
Base-Base interactions energy: -649.853
where: short stacking energy: -273.800
Base-Backbone interact. energy: 0.977
local terms energy: -285.880344
where:
bonds (distance) C4'-P energy: -53.696
bonds (distance) P-C4' energy: -56.503
flat angles C4'-P-C4' energy: -62.988
flat angles P-C4'-P energy: -38.659
tors. eta vs tors. theta energy: -74.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -890.651949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.651949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.651949 (E_RNA)
where:
Base-Base interactions energy: -611.745
where: short stacking energy: -260.086
Base-Backbone interact. energy: 1.254
local terms energy: -280.160898
where:
bonds (distance) C4'-P energy: -47.880
bonds (distance) P-C4' energy: -49.762
flat angles C4'-P-C4' energy: -62.372
flat angles P-C4'-P energy: -45.526
tors. eta vs tors. theta energy: -74.622
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: 82
Temperature: 1.000000
Total energy: -865.261425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.261425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.261425 (E_RNA)
where:
Base-Base interactions energy: -602.731
where: short stacking energy: -259.565
Base-Backbone interact. energy: -1.304
local terms energy: -261.226682
where:
bonds (distance) C4'-P energy: -42.491
bonds (distance) P-C4' energy: -52.323
flat angles C4'-P-C4' energy: -64.846
flat angles P-C4'-P energy: -36.834
tors. eta vs tors. theta energy: -64.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -844.727831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.727831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.727831 (E_RNA)
where:
Base-Base interactions energy: -584.343
where: short stacking energy: -249.495
Base-Backbone interact. energy: -0.747
local terms energy: -259.638651
where:
bonds (distance) C4'-P energy: -46.975
bonds (distance) P-C4' energy: -44.206
flat angles C4'-P-C4' energy: -56.999
flat angles P-C4'-P energy: -45.501
tors. eta vs tors. theta energy: -65.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -738.299882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.299882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.299882 (E_RNA)
where:
Base-Base interactions energy: -518.580
where: short stacking energy: -220.127
Base-Backbone interact. energy: 0.122
local terms energy: -219.841836
where:
bonds (distance) C4'-P energy: -28.013
bonds (distance) P-C4' energy: -46.970
flat angles C4'-P-C4' energy: -57.873
flat angles P-C4'-P energy: -36.698
tors. eta vs tors. theta energy: -50.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -641.167552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.167552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.167552 (E_RNA)
where:
Base-Base interactions energy: -408.893
where: short stacking energy: -212.214
Base-Backbone interact. energy: 1.200
local terms energy: -233.474401
where:
bonds (distance) C4'-P energy: -40.423
bonds (distance) P-C4' energy: -54.737
flat angles C4'-P-C4' energy: -56.695
flat angles P-C4'-P energy: -32.262
tors. eta vs tors. theta energy: -49.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -641.722836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.722836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.722836 (E_RNA)
where:
Base-Base interactions energy: -429.216
where: short stacking energy: -184.129
Base-Backbone interact. energy: 4.118
local terms energy: -216.625379
where:
bonds (distance) C4'-P energy: -53.046
bonds (distance) P-C4' energy: -46.005
flat angles C4'-P-C4' energy: -52.000
flat angles P-C4'-P energy: -24.224
tors. eta vs tors. theta energy: -41.350
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: 7
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -612.214248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.214248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.214248 (E_RNA)
where:
Base-Base interactions energy: -416.917
where: short stacking energy: -184.746
Base-Backbone interact. energy: 4.158
local terms energy: -199.455163
where:
bonds (distance) C4'-P energy: -31.813
bonds (distance) P-C4' energy: -49.548
flat angles C4'-P-C4' energy: -41.609
flat angles P-C4'-P energy: -33.057
tors. eta vs tors. theta energy: -43.428
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: 9, replica: 9
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -263.753853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.753853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.753853 (E_RNA)
where:
Base-Base interactions energy: -103.655
where: short stacking energy: -70.695
Base-Backbone interact. energy: 0.252
local terms energy: -160.351442
where:
bonds (distance) C4'-P energy: -43.385
bonds (distance) P-C4' energy: -55.674
flat angles C4'-P-C4' energy: -35.684
flat angles P-C4'-P energy: -30.295
tors. eta vs tors. theta energy: 4.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -238.105295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.105295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.105295 (E_RNA)
where:
Base-Base interactions energy: -88.966
where: short stacking energy: -62.713
Base-Backbone interact. energy: -0.800
local terms energy: -148.339335
where:
bonds (distance) C4'-P energy: -38.652
bonds (distance) P-C4' energy: -48.463
flat angles C4'-P-C4' energy: -41.002
flat angles P-C4'-P energy: -22.125
tors. eta vs tors. theta energy: 1.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -929.451101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.451101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.451101 (E_RNA)
where:
Base-Base interactions energy: -641.379
where: short stacking energy: -275.797
Base-Backbone interact. energy: -0.779
local terms energy: -287.293588
where:
bonds (distance) C4'-P energy: -48.899
bonds (distance) P-C4' energy: -54.429
flat angles C4'-P-C4' energy: -62.339
flat angles P-C4'-P energy: -47.804
tors. eta vs tors. theta energy: -73.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -885.760439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.760439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.760439 (E_RNA)
where:
Base-Base interactions energy: -609.363
where: short stacking energy: -257.675
Base-Backbone interact. energy: 0.107
local terms energy: -276.504515
where:
bonds (distance) C4'-P energy: -53.813
bonds (distance) P-C4' energy: -45.364
flat angles C4'-P-C4' energy: -54.110
flat angles P-C4'-P energy: -46.790
tors. eta vs tors. theta energy: -76.427
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: 83
Temperature: 1.000000
Total energy: -876.404759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.404759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.404759 (E_RNA)
where:
Base-Base interactions energy: -610.935
where: short stacking energy: -250.091
Base-Backbone interact. energy: -1.086
local terms energy: -264.383667
where:
bonds (distance) C4'-P energy: -51.818
bonds (distance) P-C4' energy: -49.571
flat angles C4'-P-C4' energy: -60.325
flat angles P-C4'-P energy: -31.781
tors. eta vs tors. theta energy: -70.888
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: 4, replica: 3
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -830.633194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.633194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.633194 (E_RNA)
where:
Base-Base interactions energy: -579.668
where: short stacking energy: -236.142
Base-Backbone interact. energy: 0.210
local terms energy: -251.174742
where:
bonds (distance) C4'-P energy: -45.524
bonds (distance) P-C4' energy: -52.368
flat angles C4'-P-C4' energy: -50.552
flat angles P-C4'-P energy: -42.755
tors. eta vs tors. theta energy: -59.975
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: 5, replica: 6
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -770.350063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.350063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.350063 (E_RNA)
where:
Base-Base interactions energy: -542.992
where: short stacking energy: -224.765
Base-Backbone interact. energy: -0.477
local terms energy: -226.880986
where:
bonds (distance) C4'-P energy: -39.076
bonds (distance) P-C4' energy: -46.566
flat angles C4'-P-C4' energy: -53.278
flat angles P-C4'-P energy: -40.464
tors. eta vs tors. theta energy: -47.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -668.493260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.493260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.493260 (E_RNA)
where:
Base-Base interactions energy: -448.821
where: short stacking energy: -195.463
Base-Backbone interact. energy: 4.466
local terms energy: -224.138305
where:
bonds (distance) C4'-P energy: -50.927
bonds (distance) P-C4' energy: -44.198
flat angles C4'-P-C4' energy: -49.993
flat angles P-C4'-P energy: -36.785
tors. eta vs tors. theta energy: -42.236
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: 8
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -617.637267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.637267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.637267 (E_RNA)
where:
Base-Base interactions energy: -381.067
where: short stacking energy: -174.037
Base-Backbone interact. energy: -0.780
local terms energy: -235.790808
where:
bonds (distance) C4'-P energy: -51.387
bonds (distance) P-C4' energy: -53.481
flat angles C4'-P-C4' energy: -53.373
flat angles P-C4'-P energy: -34.480
tors. eta vs tors. theta energy: -43.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -624.647561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.647561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.647561 (E_RNA)
where:
Base-Base interactions energy: -408.030
where: short stacking energy: -169.675
Base-Backbone interact. energy: -3.053
local terms energy: -213.563968
where:
bonds (distance) C4'-P energy: -35.549
bonds (distance) P-C4' energy: -52.572
flat angles C4'-P-C4' energy: -53.629
flat angles P-C4'-P energy: -37.432
tors. eta vs tors. theta energy: -34.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -282.322522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.322522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.322522 (E_RNA)
where:
Base-Base interactions energy: -130.094
where: short stacking energy: -92.990
Base-Backbone interact. energy: 4.343
local terms energy: -156.571464
where:
bonds (distance) C4'-P energy: -42.298
bonds (distance) P-C4' energy: -51.385
flat angles C4'-P-C4' energy: -47.991
flat angles P-C4'-P energy: -17.476
tors. eta vs tors. theta energy: 2.578
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: 10, replica: 10
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -245.663199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.663199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.663199 (E_RNA)
where:
Base-Base interactions energy: -90.948
where: short stacking energy: -72.598
Base-Backbone interact. energy: 0.749
local terms energy: -155.464339
where:
bonds (distance) C4'-P energy: -37.915
bonds (distance) P-C4' energy: -42.109
flat angles C4'-P-C4' energy: -40.507
flat angles P-C4'-P energy: -28.896
tors. eta vs tors. theta energy: -6.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -910.161987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.161987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.161987 (E_RNA)
where:
Base-Base interactions energy: -619.980
where: short stacking energy: -279.358
Base-Backbone interact. energy: -1.628
local terms energy: -288.554694
where:
bonds (distance) C4'-P energy: -57.037
bonds (distance) P-C4' energy: -52.848
flat angles C4'-P-C4' energy: -59.059
flat angles P-C4'-P energy: -42.200
tors. eta vs tors. theta energy: -77.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -897.418468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.418468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.418468 (E_RNA)
where:
Base-Base interactions energy: -615.796
where: short stacking energy: -274.987
Base-Backbone interact. energy: 0.135
local terms energy: -281.757943
where:
bonds (distance) C4'-P energy: -57.761
bonds (distance) P-C4' energy: -52.355
flat angles C4'-P-C4' energy: -58.634
flat angles P-C4'-P energy: -37.209
tors. eta vs tors. theta energy: -75.799
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: 5
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -865.040863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.040863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.040863 (E_RNA)
where:
Base-Base interactions energy: -604.535
where: short stacking energy: -264.673
Base-Backbone interact. energy: 0.314
local terms energy: -260.820316
where:
bonds (distance) C4'-P energy: -44.681
bonds (distance) P-C4' energy: -50.498
flat angles C4'-P-C4' energy: -49.691
flat angles P-C4'-P energy: -42.341
tors. eta vs tors. theta energy: -73.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -830.064904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.064904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.064904 (E_RNA)
where:
Base-Base interactions energy: -582.870
where: short stacking energy: -247.494
Base-Backbone interact. energy: -0.969
local terms energy: -246.225562
where:
bonds (distance) C4'-P energy: -57.897
bonds (distance) P-C4' energy: -44.880
flat angles C4'-P-C4' energy: -49.057
flat angles P-C4'-P energy: -30.655
tors. eta vs tors. theta energy: -63.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -759.859576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.859576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.859576 (E_RNA)
where:
Base-Base interactions energy: -519.139
where: short stacking energy: -217.866
Base-Backbone interact. energy: 0.412
local terms energy: -241.132793
where:
bonds (distance) C4'-P energy: -56.258
bonds (distance) P-C4' energy: -46.487
flat angles C4'-P-C4' energy: -51.134
flat angles P-C4'-P energy: -36.706
tors. eta vs tors. theta energy: -50.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -711.404458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.404458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.404458 (E_RNA)
where:
Base-Base interactions energy: -485.218
where: short stacking energy: -222.819
Base-Backbone interact. energy: -1.604
local terms energy: -224.583062
where:
bonds (distance) C4'-P energy: -38.762
bonds (distance) P-C4' energy: -44.802
flat angles C4'-P-C4' energy: -50.252
flat angles P-C4'-P energy: -35.581
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: 7, replica: 7
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -659.886334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.886334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.886334 (E_RNA)
where:
Base-Base interactions energy: -449.607
where: short stacking energy: -185.693
Base-Backbone interact. energy: 1.103
local terms energy: -211.382546
where:
bonds (distance) C4'-P energy: -46.398
bonds (distance) P-C4' energy: -40.466
flat angles C4'-P-C4' energy: -47.019
flat angles P-C4'-P energy: -31.064
tors. eta vs tors. theta energy: -46.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -569.250125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.250125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.250125 (E_RNA)
where:
Base-Base interactions energy: -366.754
where: short stacking energy: -161.615
Base-Backbone interact. energy: -1.766
local terms energy: -200.730596
where:
bonds (distance) C4'-P energy: -43.963
bonds (distance) P-C4' energy: -40.433
flat angles C4'-P-C4' energy: -49.463
flat angles P-C4'-P energy: -30.336
tors. eta vs tors. theta energy: -36.536
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: 9
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -300.349026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.349026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.349026 (E_RNA)
where:
Base-Base interactions energy: -136.126
where: short stacking energy: -84.227
Base-Backbone interact. energy: -0.648
local terms energy: -163.575537
where:
bonds (distance) C4'-P energy: -49.517
bonds (distance) P-C4' energy: -43.924
flat angles C4'-P-C4' energy: -40.889
flat angles P-C4'-P energy: -29.899
tors. eta vs tors. theta energy: 0.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -221.885479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.885479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.885479 (E_RNA)
where:
Base-Base interactions energy: -88.814
where: short stacking energy: -74.219
Base-Backbone interact. energy: -0.226
local terms energy: -132.844667
where:
bonds (distance) C4'-P energy: -35.158
bonds (distance) P-C4' energy: -44.900
flat angles C4'-P-C4' energy: -31.556
flat angles P-C4'-P energy: -26.231
tors. eta vs tors. theta energy: 5.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -906.621227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.621227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.621227 (E_RNA)
where:
Base-Base interactions energy: -612.208
where: short stacking energy: -267.614
Base-Backbone interact. energy: -1.249
local terms energy: -293.163769
where:
bonds (distance) C4'-P energy: -53.987
bonds (distance) P-C4' energy: -57.326
flat angles C4'-P-C4' energy: -64.262
flat angles P-C4'-P energy: -41.385
tors. eta vs tors. theta energy: -76.204
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: 1
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -903.506727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.506727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.506727 (E_RNA)
where:
Base-Base interactions energy: -626.281
where: short stacking energy: -268.625
Base-Backbone interact. energy: -2.992
local terms energy: -274.233810
where:
bonds (distance) C4'-P energy: -52.270
bonds (distance) P-C4' energy: -48.556
flat angles C4'-P-C4' energy: -57.523
flat angles P-C4'-P energy: -36.910
tors. eta vs tors. theta energy: -78.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -859.114885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.114885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.114885 (E_RNA)
where:
Base-Base interactions energy: -609.738
where: short stacking energy: -240.808
Base-Backbone interact. energy: 1.829
local terms energy: -251.205727
where:
bonds (distance) C4'-P energy: -51.712
bonds (distance) P-C4' energy: -43.565
flat angles C4'-P-C4' energy: -54.375
flat angles P-C4'-P energy: -38.518
tors. eta vs tors. theta energy: -63.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -796.312418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.312418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.312418 (E_RNA)
where:
Base-Base interactions energy: -542.370
where: short stacking energy: -236.287
Base-Backbone interact. energy: -1.220
local terms energy: -252.722644
where:
bonds (distance) C4'-P energy: -47.821
bonds (distance) P-C4' energy: -37.125
flat angles C4'-P-C4' energy: -57.574
flat angles P-C4'-P energy: -44.659
tors. eta vs tors. theta energy: -65.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -803.025926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.025926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.025926 (E_RNA)
where:
Base-Base interactions energy: -540.192
where: short stacking energy: -228.862
Base-Backbone interact. energy: -0.845
local terms energy: -261.988990
where:
bonds (distance) C4'-P energy: -49.847
bonds (distance) P-C4' energy: -48.146
flat angles C4'-P-C4' energy: -59.597
flat angles P-C4'-P energy: -41.201
tors. eta vs tors. theta energy: -63.198
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: 6, replica: 2
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -726.458317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.458317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.458317 (E_RNA)
where:
Base-Base interactions energy: -482.502
where: short stacking energy: -226.288
Base-Backbone interact. energy: -1.392
local terms energy: -242.563949
where:
bonds (distance) C4'-P energy: -49.073
bonds (distance) P-C4' energy: -44.069
flat angles C4'-P-C4' energy: -51.271
flat angles P-C4'-P energy: -35.022
tors. eta vs tors. theta energy: -63.128
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: 7, replica: 7
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -663.559123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.559123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.559123 (E_RNA)
where:
Base-Base interactions energy: -448.282
where: short stacking energy: -184.783
Base-Backbone interact. energy: -0.749
local terms energy: -214.528064
where:
bonds (distance) C4'-P energy: -50.379
bonds (distance) P-C4' energy: -37.220
flat angles C4'-P-C4' energy: -50.705
flat angles P-C4'-P energy: -36.493
tors. eta vs tors. theta energy: -39.730
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: 8, replica: 8
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -568.169799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.169799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.169799 (E_RNA)
where:
Base-Base interactions energy: -354.910
where: short stacking energy: -168.422
Base-Backbone interact. energy: -2.054
local terms energy: -211.205472
where:
bonds (distance) C4'-P energy: -46.185
bonds (distance) P-C4' energy: -53.249
flat angles C4'-P-C4' energy: -49.521
flat angles P-C4'-P energy: -29.826
tors. eta vs tors. theta energy: -32.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -328.902710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.902710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.902710 (E_RNA)
where:
Base-Base interactions energy: -170.091
where: short stacking energy: -108.812
Base-Backbone interact. energy: 2.074
local terms energy: -160.885015
where:
bonds (distance) C4'-P energy: -45.283
bonds (distance) P-C4' energy: -47.828
flat angles C4'-P-C4' energy: -35.449
flat angles P-C4'-P energy: -17.669
tors. eta vs tors. theta energy: -14.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -212.135264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.135264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.135264 (E_RNA)
where:
Base-Base interactions energy: -71.275
where: short stacking energy: -62.707
Base-Backbone interact. energy: -0.673
local terms energy: -140.186908
where:
bonds (distance) C4'-P energy: -47.902
bonds (distance) P-C4' energy: -51.342
flat angles C4'-P-C4' energy: -29.716
flat angles P-C4'-P energy: -15.577
tors. eta vs tors. theta energy: 4.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -910.916373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.916373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.916373 (E_RNA)
where:
Base-Base interactions energy: -632.787
where: short stacking energy: -263.886
Base-Backbone interact. energy: -1.423
local terms energy: -276.705843
where:
bonds (distance) C4'-P energy: -45.754
bonds (distance) P-C4' energy: -52.210
flat angles C4'-P-C4' energy: -59.070
flat angles P-C4'-P energy: -40.640
tors. eta vs tors. theta energy: -79.031
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: 4
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -869.201828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.201828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.201828 (E_RNA)
where:
Base-Base interactions energy: -616.425
where: short stacking energy: -267.582
Base-Backbone interact. energy: -1.574
local terms energy: -251.202293
where:
bonds (distance) C4'-P energy: -47.152
bonds (distance) P-C4' energy: -48.710
flat angles C4'-P-C4' energy: -56.235
flat angles P-C4'-P energy: -34.914
tors. eta vs tors. theta energy: -64.192
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: 5
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -854.837570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.837570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.837570 (E_RNA)
where:
Base-Base interactions energy: -587.693
where: short stacking energy: -258.325
Base-Backbone interact. energy: -1.517
local terms energy: -265.627151
where:
bonds (distance) C4'-P energy: -51.186
bonds (distance) P-C4' energy: -51.560
flat angles C4'-P-C4' energy: -54.624
flat angles P-C4'-P energy: -35.614
tors. eta vs tors. theta energy: -72.642
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: 6
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -798.607721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.607721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.607721 (E_RNA)
where:
Base-Base interactions energy: -539.621
where: short stacking energy: -233.093
Base-Backbone interact. energy: -2.402
local terms energy: -256.584379
where:
bonds (distance) C4'-P energy: -43.569
bonds (distance) P-C4' energy: -56.184
flat angles C4'-P-C4' energy: -48.570
flat angles P-C4'-P energy: -44.047
tors. eta vs tors. theta energy: -64.214
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: 3
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -812.898311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.898311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.898311 (E_RNA)
where:
Base-Base interactions energy: -572.040
where: short stacking energy: -227.074
Base-Backbone interact. energy: -0.398
local terms energy: -240.460139
where:
bonds (distance) C4'-P energy: -43.412
bonds (distance) P-C4' energy: -50.430
flat angles C4'-P-C4' energy: -48.018
flat angles P-C4'-P energy: -36.814
tors. eta vs tors. theta energy: -61.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -681.918961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.918961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.918961 (E_RNA)
where:
Base-Base interactions energy: -455.621
where: short stacking energy: -204.244
Base-Backbone interact. energy: 1.007
local terms energy: -227.304774
where:
bonds (distance) C4'-P energy: -51.676
bonds (distance) P-C4' energy: -49.726
flat angles C4'-P-C4' energy: -49.410
flat angles P-C4'-P energy: -35.174
tors. eta vs tors. theta energy: -41.319
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: 7, replica: 7
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -638.788807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.788807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.788807 (E_RNA)
where:
Base-Base interactions energy: -438.734
where: short stacking energy: -179.965
Base-Backbone interact. energy: -0.123
local terms energy: -199.931558
where:
bonds (distance) C4'-P energy: -41.836
bonds (distance) P-C4' energy: -44.262
flat angles C4'-P-C4' energy: -46.290
flat angles P-C4'-P energy: -24.475
tors. eta vs tors. theta energy: -43.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -565.377015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.377015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.377015 (E_RNA)
where:
Base-Base interactions energy: -373.102
where: short stacking energy: -170.210
Base-Backbone interact. energy: 0.353
local terms energy: -192.627516
where:
bonds (distance) C4'-P energy: -47.233
bonds (distance) P-C4' energy: -37.917
flat angles C4'-P-C4' energy: -50.766
flat angles P-C4'-P energy: -13.762
tors. eta vs tors. theta energy: -42.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -329.090186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.090186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.090186 (E_RNA)
where:
Base-Base interactions energy: -157.426
where: short stacking energy: -95.042
Base-Backbone interact. energy: 3.204
local terms energy: -174.868308
where:
bonds (distance) C4'-P energy: -50.343
bonds (distance) P-C4' energy: -46.577
flat angles C4'-P-C4' energy: -34.669
flat angles P-C4'-P energy: -21.648
tors. eta vs tors. theta energy: -21.632
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: 10
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -222.560778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.560778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.560778 (E_RNA)
where:
Base-Base interactions energy: -64.248
where: short stacking energy: -63.729
Base-Backbone interact. energy: 0.054
local terms energy: -158.367355
where:
bonds (distance) C4'-P energy: -55.106
bonds (distance) P-C4' energy: -44.863
flat angles C4'-P-C4' energy: -33.673
flat angles P-C4'-P energy: -27.375
tors. eta vs tors. theta energy: 2.649
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: 1, replica: 1
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -936.793693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.793693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.793693 (E_RNA)
where:
Base-Base interactions energy: -658.115
where: short stacking energy: -269.515
Base-Backbone interact. energy: -1.328
local terms energy: -277.350470
where:
bonds (distance) C4'-P energy: -53.016
bonds (distance) P-C4' energy: -55.212
flat angles C4'-P-C4' energy: -54.953
flat angles P-C4'-P energy: -37.695
tors. eta vs tors. theta energy: -76.473
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: 2, replica: 5
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -866.289863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.289863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.289863 (E_RNA)
where:
Base-Base interactions energy: -607.919
where: short stacking energy: -266.618
Base-Backbone interact. energy: -1.097
local terms energy: -257.273453
where:
bonds (distance) C4'-P energy: -43.287
bonds (distance) P-C4' energy: -51.031
flat angles C4'-P-C4' energy: -47.940
flat angles P-C4'-P energy: -42.071
tors. eta vs tors. theta energy: -72.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -866.068658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.068658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.068658 (E_RNA)
where:
Base-Base interactions energy: -610.232
where: short stacking energy: -240.266
Base-Backbone interact. energy: -0.095
local terms energy: -255.741016
where:
bonds (distance) C4'-P energy: -49.914
bonds (distance) P-C4' energy: -50.077
flat angles C4'-P-C4' energy: -51.557
flat angles P-C4'-P energy: -35.001
tors. eta vs tors. theta energy: -69.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -793.184962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.184962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.184962 (E_RNA)
where:
Base-Base interactions energy: -534.800
where: short stacking energy: -223.595
Base-Backbone interact. energy: 1.200
local terms energy: -259.584556
where:
bonds (distance) C4'-P energy: -51.535
bonds (distance) P-C4' energy: -46.529
flat angles C4'-P-C4' energy: -56.302
flat angles P-C4'-P energy: -39.953
tors. eta vs tors. theta energy: -65.265
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: 6
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -768.840711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.840711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.840711 (E_RNA)
where:
Base-Base interactions energy: -532.145
where: short stacking energy: -220.343
Base-Backbone interact. energy: -1.053
local terms energy: -235.642137
where:
bonds (distance) C4'-P energy: -48.654
bonds (distance) P-C4' energy: -43.703
flat angles C4'-P-C4' energy: -59.877
flat angles P-C4'-P energy: -23.423
tors. eta vs tors. theta energy: -59.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -682.537563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.537563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.537563 (E_RNA)
where:
Base-Base interactions energy: -450.369
where: short stacking energy: -188.195
Base-Backbone interact. energy: -0.636
local terms energy: -231.532845
where:
bonds (distance) C4'-P energy: -46.981
bonds (distance) P-C4' energy: -51.161
flat angles C4'-P-C4' energy: -47.989
flat angles P-C4'-P energy: -37.815
tors. eta vs tors. theta energy: -47.586
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: 7
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -650.538247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.538247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.538247 (E_RNA)
where:
Base-Base interactions energy: -445.067
where: short stacking energy: -181.828
Base-Backbone interact. energy: 2.449
local terms energy: -207.919603
where:
bonds (distance) C4'-P energy: -48.987
bonds (distance) P-C4' energy: -42.669
flat angles C4'-P-C4' energy: -45.723
flat angles P-C4'-P energy: -20.994
tors. eta vs tors. theta energy: -49.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -570.363694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.363694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.363694 (E_RNA)
where:
Base-Base interactions energy: -370.881
where: short stacking energy: -155.957
Base-Backbone interact. energy: 0.014
local terms energy: -199.496654
where:
bonds (distance) C4'-P energy: -46.966
bonds (distance) P-C4' energy: -50.604
flat angles C4'-P-C4' energy: -37.810
flat angles P-C4'-P energy: -35.475
tors. eta vs tors. theta energy: -28.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -343.912832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.912832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.912832 (E_RNA)
where:
Base-Base interactions energy: -183.519
where: short stacking energy: -119.263
Base-Backbone interact. energy: 3.256
local terms energy: -163.650212
where:
bonds (distance) C4'-P energy: -37.488
bonds (distance) P-C4' energy: -47.005
flat angles C4'-P-C4' energy: -38.766
flat angles P-C4'-P energy: -28.202
tors. eta vs tors. theta energy: -12.189
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: 10
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -212.721598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.721598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.721598 (E_RNA)
where:
Base-Base interactions energy: -71.378
where: short stacking energy: -64.455
Base-Backbone interact. energy: 6.900
local terms energy: -148.243277
where:
bonds (distance) C4'-P energy: -42.829
bonds (distance) P-C4' energy: -40.726
flat angles C4'-P-C4' energy: -34.350
flat angles P-C4'-P energy: -33.785
tors. eta vs tors. theta energy: 3.447
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: 1
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -911.240889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.240889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.240889 (E_RNA)
where:
Base-Base interactions energy: -629.638
where: short stacking energy: -262.131
Base-Backbone interact. energy: 1.168
local terms energy: -282.771598
where:
bonds (distance) C4'-P energy: -49.476
bonds (distance) P-C4' energy: -60.612
flat angles C4'-P-C4' energy: -53.281
flat angles P-C4'-P energy: -43.535
tors. eta vs tors. theta energy: -75.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -876.701330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.701330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.701330 (E_RNA)
where:
Base-Base interactions energy: -609.942
where: short stacking energy: -270.822
Base-Backbone interact. energy: -1.161
local terms energy: -265.597782
where:
bonds (distance) C4'-P energy: -49.253
bonds (distance) P-C4' energy: -46.220
flat angles C4'-P-C4' energy: -57.583
flat angles P-C4'-P energy: -38.528
tors. eta vs tors. theta energy: -74.013
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: 4
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -857.850922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.850922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.850922 (E_RNA)
where:
Base-Base interactions energy: -618.715
where: short stacking energy: -250.568
Base-Backbone interact. energy: 0.032
local terms energy: -239.167698
where:
bonds (distance) C4'-P energy: -44.841
bonds (distance) P-C4' energy: -47.556
flat angles C4'-P-C4' energy: -47.283
flat angles P-C4'-P energy: -36.150
tors. eta vs tors. theta energy: -63.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -796.303512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.303512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.303512 (E_RNA)
where:
Base-Base interactions energy: -544.485
where: short stacking energy: -218.910
Base-Backbone interact. energy: 0.240
local terms energy: -252.058710
where:
bonds (distance) C4'-P energy: -51.713
bonds (distance) P-C4' energy: -47.475
flat angles C4'-P-C4' energy: -53.303
flat angles P-C4'-P energy: -38.572
tors. eta vs tors. theta energy: -60.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -781.986874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.986874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.986874 (E_RNA)
where:
Base-Base interactions energy: -554.410
where: short stacking energy: -232.006
Base-Backbone interact. energy: 4.828
local terms energy: -232.404530
where:
bonds (distance) C4'-P energy: -49.225
bonds (distance) P-C4' energy: -39.825
flat angles C4'-P-C4' energy: -50.859
flat angles P-C4'-P energy: -35.093
tors. eta vs tors. theta energy: -57.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -679.913801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.913801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.913801 (E_RNA)
where:
Base-Base interactions energy: -458.813
where: short stacking energy: -190.199
Base-Backbone interact. energy: -0.891
local terms energy: -220.209348
where:
bonds (distance) C4'-P energy: -41.927
bonds (distance) P-C4' energy: -41.979
flat angles C4'-P-C4' energy: -60.810
flat angles P-C4'-P energy: -28.170
tors. eta vs tors. theta energy: -47.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -662.356116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.356116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.356116 (E_RNA)
where:
Base-Base interactions energy: -448.198
where: short stacking energy: -192.617
Base-Backbone interact. energy: -0.669
local terms energy: -213.489270
where:
bonds (distance) C4'-P energy: -38.784
bonds (distance) P-C4' energy: -50.596
flat angles C4'-P-C4' energy: -47.171
flat angles P-C4'-P energy: -30.722
tors. eta vs tors. theta energy: -46.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -569.720852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.720852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.720852 (E_RNA)
where:
Base-Base interactions energy: -370.971
where: short stacking energy: -175.324
Base-Backbone interact. energy: 2.271
local terms energy: -201.020678
where:
bonds (distance) C4'-P energy: -47.285
bonds (distance) P-C4' energy: -38.343
flat angles C4'-P-C4' energy: -51.510
flat angles P-C4'-P energy: -25.302
tors. eta vs tors. theta energy: -38.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -332.058542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.058542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.058542 (E_RNA)
where:
Base-Base interactions energy: -175.208
where: short stacking energy: -99.028
Base-Backbone interact. energy: -1.046
local terms energy: -155.804998
where:
bonds (distance) C4'-P energy: -40.687
bonds (distance) P-C4' energy: -47.922
flat angles C4'-P-C4' energy: -35.442
flat angles P-C4'-P energy: -27.461
tors. eta vs tors. theta energy: -4.293
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: 10
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -237.647777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.647777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.647777 (E_RNA)
where:
Base-Base interactions energy: -86.926
where: short stacking energy: -71.615
Base-Backbone interact. energy: -2.774
local terms energy: -147.947660
where:
bonds (distance) C4'-P energy: -42.788
bonds (distance) P-C4' energy: -41.144
flat angles C4'-P-C4' energy: -39.778
flat angles P-C4'-P energy: -26.203
tors. eta vs tors. theta energy: 1.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -918.890532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.890532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.890532 (E_RNA)
where:
Base-Base interactions energy: -632.719
where: short stacking energy: -278.058
Base-Backbone interact. energy: -1.762
local terms energy: -284.409533
where:
bonds (distance) C4'-P energy: -47.700
bonds (distance) P-C4' energy: -58.742
flat angles C4'-P-C4' energy: -55.685
flat angles P-C4'-P energy: -41.354
tors. eta vs tors. theta energy: -80.928
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: 89
Temperature: 0.950000
Total energy: -878.006776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.006776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.006776 (E_RNA)
where:
Base-Base interactions energy: -607.354
where: short stacking energy: -263.414
Base-Backbone interact. energy: -1.311
local terms energy: -269.341662
where:
bonds (distance) C4'-P energy: -45.937
bonds (distance) P-C4' energy: -58.079
flat angles C4'-P-C4' energy: -54.736
flat angles P-C4'-P energy: -38.924
tors. eta vs tors. theta energy: -71.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -857.381294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.381294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.381294 (E_RNA)
where:
Base-Base interactions energy: -587.550
where: short stacking energy: -248.673
Base-Backbone interact. energy: 0.471
local terms energy: -270.302544
where:
bonds (distance) C4'-P energy: -52.120
bonds (distance) P-C4' energy: -52.500
flat angles C4'-P-C4' energy: -57.006
flat angles P-C4'-P energy: -38.849
tors. eta vs tors. theta energy: -69.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -836.175315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.175315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.175315 (E_RNA)
where:
Base-Base interactions energy: -586.045
where: short stacking energy: -238.274
Base-Backbone interact. energy: -1.180
local terms energy: -248.950725
where:
bonds (distance) C4'-P energy: -48.985
bonds (distance) P-C4' energy: -46.609
flat angles C4'-P-C4' energy: -60.415
flat angles P-C4'-P energy: -32.233
tors. eta vs tors. theta energy: -60.709
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: 6
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -767.035160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.035160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.035160 (E_RNA)
where:
Base-Base interactions energy: -526.818
where: short stacking energy: -227.743
Base-Backbone interact. energy: -0.341
local terms energy: -239.876238
where:
bonds (distance) C4'-P energy: -55.720
bonds (distance) P-C4' energy: -49.156
flat angles C4'-P-C4' energy: -43.580
flat angles P-C4'-P energy: -32.508
tors. eta vs tors. theta energy: -58.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -662.219299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.219299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.219299 (E_RNA)
where:
Base-Base interactions energy: -444.677
where: short stacking energy: -181.043
Base-Backbone interact. energy: -1.185
local terms energy: -216.357440
where:
bonds (distance) C4'-P energy: -44.113
bonds (distance) P-C4' energy: -55.813
flat angles C4'-P-C4' energy: -48.305
flat angles P-C4'-P energy: -33.956
tors. eta vs tors. theta energy: -34.171
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: 7
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -636.866190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.866190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.866190 (E_RNA)
where:
Base-Base interactions energy: -426.905
where: short stacking energy: -178.206
Base-Backbone interact. energy: 5.170
local terms energy: -215.131963
where:
bonds (distance) C4'-P energy: -38.146
bonds (distance) P-C4' energy: -55.364
flat angles C4'-P-C4' energy: -53.346
flat angles P-C4'-P energy: -30.883
tors. eta vs tors. theta energy: -37.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -559.368253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.368253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.368253 (E_RNA)
where:
Base-Base interactions energy: -355.796
where: short stacking energy: -167.591
Base-Backbone interact. energy: 3.269
local terms energy: -206.841904
where:
bonds (distance) C4'-P energy: -46.476
bonds (distance) P-C4' energy: -46.605
flat angles C4'-P-C4' energy: -48.908
flat angles P-C4'-P energy: -26.176
tors. eta vs tors. theta energy: -38.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -316.974295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.974295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.974295 (E_RNA)
where:
Base-Base interactions energy: -159.660
where: short stacking energy: -85.836
Base-Backbone interact. energy: -2.941
local terms energy: -154.373349
where:
bonds (distance) C4'-P energy: -51.176
bonds (distance) P-C4' energy: -40.701
flat angles C4'-P-C4' energy: -40.394
flat angles P-C4'-P energy: -20.756
tors. eta vs tors. theta energy: -1.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -219.617403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.617403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.617403 (E_RNA)
where:
Base-Base interactions energy: -74.971
where: short stacking energy: -65.372
Base-Backbone interact. energy: -0.749
local terms energy: -143.896986
where:
bonds (distance) C4'-P energy: -35.215
bonds (distance) P-C4' energy: -47.131
flat angles C4'-P-C4' energy: -42.848
flat angles P-C4'-P energy: -26.737
tors. eta vs tors. theta energy: 8.034
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: 1, replica: 5
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -886.672768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.672768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.672768 (E_RNA)
where:
Base-Base interactions energy: -603.815
where: short stacking energy: -269.710
Base-Backbone interact. energy: -0.617
local terms energy: -282.241095
where:
bonds (distance) C4'-P energy: -47.891
bonds (distance) P-C4' energy: -57.865
flat angles C4'-P-C4' energy: -56.663
flat angles P-C4'-P energy: -45.008
tors. eta vs tors. theta energy: -74.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -863.877333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.877333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.877333 (E_RNA)
where:
Base-Base interactions energy: -597.159
where: short stacking energy: -253.942
Base-Backbone interact. energy: -1.553
local terms energy: -265.164493
where:
bonds (distance) C4'-P energy: -39.249
bonds (distance) P-C4' energy: -54.988
flat angles C4'-P-C4' energy: -61.269
flat angles P-C4'-P energy: -39.043
tors. eta vs tors. theta energy: -70.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -869.791688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.791688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.791688 (E_RNA)
where:
Base-Base interactions energy: -606.574
where: short stacking energy: -255.539
Base-Backbone interact. energy: 1.584
local terms energy: -264.802165
where:
bonds (distance) C4'-P energy: -51.206
bonds (distance) P-C4' energy: -53.829
flat angles C4'-P-C4' energy: -52.113
flat angles P-C4'-P energy: -41.528
tors. eta vs tors. theta energy: -66.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -853.529150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.529150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.529150 (E_RNA)
where:
Base-Base interactions energy: -599.538
where: short stacking energy: -241.496
Base-Backbone interact. energy: 0.721
local terms energy: -254.712532
where:
bonds (distance) C4'-P energy: -44.639
bonds (distance) P-C4' energy: -56.633
flat angles C4'-P-C4' energy: -55.755
flat angles P-C4'-P energy: -37.958
tors. eta vs tors. theta energy: -59.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -756.918766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.918766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.918766 (E_RNA)
where:
Base-Base interactions energy: -517.103
where: short stacking energy: -219.246
Base-Backbone interact. energy: -2.032
local terms energy: -237.784244
where:
bonds (distance) C4'-P energy: -44.503
bonds (distance) P-C4' energy: -49.620
flat angles C4'-P-C4' energy: -54.866
flat angles P-C4'-P energy: -39.808
tors. eta vs tors. theta energy: -48.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -672.829144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.829144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.829144 (E_RNA)
where:
Base-Base interactions energy: -458.801
where: short stacking energy: -197.926
Base-Backbone interact. energy: -1.371
local terms energy: -212.657381
where:
bonds (distance) C4'-P energy: -45.657
bonds (distance) P-C4' energy: -43.537
flat angles C4'-P-C4' energy: -46.580
flat angles P-C4'-P energy: -31.096
tors. eta vs tors. theta energy: -45.788
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: 7
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -670.074902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.074902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.074902 (E_RNA)
where:
Base-Base interactions energy: -448.722
where: short stacking energy: -189.900
Base-Backbone interact. energy: 2.281
local terms energy: -223.633492
where:
bonds (distance) C4'-P energy: -41.936
bonds (distance) P-C4' energy: -47.651
flat angles C4'-P-C4' energy: -50.196
flat angles P-C4'-P energy: -30.335
tors. eta vs tors. theta energy: -53.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -543.856787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.856787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.856787 (E_RNA)
where:
Base-Base interactions energy: -341.352
where: short stacking energy: -151.013
Base-Backbone interact. energy: -2.093
local terms energy: -200.412445
where:
bonds (distance) C4'-P energy: -35.579
bonds (distance) P-C4' energy: -48.700
flat angles C4'-P-C4' energy: -55.622
flat angles P-C4'-P energy: -26.692
tors. eta vs tors. theta energy: -33.820
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: 9
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -335.776206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.776206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.776206 (E_RNA)
where:
Base-Base interactions energy: -179.774
where: short stacking energy: -100.302
Base-Backbone interact. energy: 0.771
local terms energy: -156.773056
where:
bonds (distance) C4'-P energy: -28.509
bonds (distance) P-C4' energy: -47.073
flat angles C4'-P-C4' energy: -49.803
flat angles P-C4'-P energy: -28.210
tors. eta vs tors. theta energy: -3.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -281.436882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.436882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.436882 (E_RNA)
where:
Base-Base interactions energy: -131.187
where: short stacking energy: -81.618
Base-Backbone interact. energy: 1.833
local terms energy: -152.083092
where:
bonds (distance) C4'-P energy: -35.007
bonds (distance) P-C4' energy: -56.348
flat angles C4'-P-C4' energy: -25.543
flat angles P-C4'-P energy: -27.703
tors. eta vs tors. theta energy: -7.482
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: 5
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -886.030431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.030431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.030431 (E_RNA)
where:
Base-Base interactions energy: -610.515
where: short stacking energy: -260.860
Base-Backbone interact. energy: -0.652
local terms energy: -274.863839
where:
bonds (distance) C4'-P energy: -56.517
bonds (distance) P-C4' energy: -50.495
flat angles C4'-P-C4' energy: -60.215
flat angles P-C4'-P energy: -35.149
tors. eta vs tors. theta energy: -72.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -901.251223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.251223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.251223 (E_RNA)
where:
Base-Base interactions energy: -619.112
where: short stacking energy: -257.310
Base-Backbone interact. energy: -1.039
local terms energy: -281.100446
where:
bonds (distance) C4'-P energy: -53.203
bonds (distance) P-C4' energy: -53.322
flat angles C4'-P-C4' energy: -62.361
flat angles P-C4'-P energy: -39.482
tors. eta vs tors. theta energy: -72.731
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: 3
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -870.730451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.730451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.730451 (E_RNA)
where:
Base-Base interactions energy: -600.882
where: short stacking energy: -250.536
Base-Backbone interact. energy: 1.133
local terms energy: -270.980796
where:
bonds (distance) C4'-P energy: -41.895
bonds (distance) P-C4' energy: -58.333
flat angles C4'-P-C4' energy: -62.475
flat angles P-C4'-P energy: -39.253
tors. eta vs tors. theta energy: -69.024
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: 4
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -831.903051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.903051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.903051 (E_RNA)
where:
Base-Base interactions energy: -581.595
where: short stacking energy: -247.206
Base-Backbone interact. energy: -0.721
local terms energy: -249.587078
where:
bonds (distance) C4'-P energy: -43.327
bonds (distance) P-C4' energy: -53.155
flat angles C4'-P-C4' energy: -54.335
flat angles P-C4'-P energy: -31.363
tors. eta vs tors. theta energy: -67.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -756.897189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.897189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.897189 (E_RNA)
where:
Base-Base interactions energy: -521.078
where: short stacking energy: -219.575
Base-Backbone interact. energy: 1.471
local terms energy: -237.290873
where:
bonds (distance) C4'-P energy: -35.961
bonds (distance) P-C4' energy: -53.316
flat angles C4'-P-C4' energy: -58.502
flat angles P-C4'-P energy: -37.357
tors. eta vs tors. theta energy: -52.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -675.212970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.212970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.212970 (E_RNA)
where:
Base-Base interactions energy: -466.600
where: short stacking energy: -189.052
Base-Backbone interact. energy: -0.775
local terms energy: -207.838055
where:
bonds (distance) C4'-P energy: -42.842
bonds (distance) P-C4' energy: -44.664
flat angles C4'-P-C4' energy: -39.290
flat angles P-C4'-P energy: -33.694
tors. eta vs tors. theta energy: -47.348
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: 2
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -646.479883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.479883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.479883 (E_RNA)
where:
Base-Base interactions energy: -441.582
where: short stacking energy: -196.974
Base-Backbone interact. energy: -1.276
local terms energy: -203.622060
where:
bonds (distance) C4'-P energy: -44.126
bonds (distance) P-C4' energy: -43.469
flat angles C4'-P-C4' energy: -36.778
flat angles P-C4'-P energy: -36.742
tors. eta vs tors. theta energy: -42.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -570.696896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.696896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.696896 (E_RNA)
where:
Base-Base interactions energy: -389.251
where: short stacking energy: -171.600
Base-Backbone interact. energy: -1.478
local terms energy: -179.967034
where:
bonds (distance) C4'-P energy: -34.568
bonds (distance) P-C4' energy: -42.034
flat angles C4'-P-C4' energy: -38.882
flat angles P-C4'-P energy: -33.553
tors. eta vs tors. theta energy: -30.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -261.452947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.452947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.452947 (E_RNA)
where:
Base-Base interactions energy: -116.448
where: short stacking energy: -68.796
Base-Backbone interact. energy: -1.403
local terms energy: -143.601912
where:
bonds (distance) C4'-P energy: -26.590
bonds (distance) P-C4' energy: -57.876
flat angles C4'-P-C4' energy: -25.865
flat angles P-C4'-P energy: -25.341
tors. eta vs tors. theta energy: -7.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -229.100803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.100803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.100803 (E_RNA)
where:
Base-Base interactions energy: -93.494
where: short stacking energy: -81.786
Base-Backbone interact. energy: -0.086
local terms energy: -135.520537
where:
bonds (distance) C4'-P energy: -44.309
bonds (distance) P-C4' energy: -49.025
flat angles C4'-P-C4' energy: -38.421
flat angles P-C4'-P energy: -6.669
tors. eta vs tors. theta energy: 2.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -888.310782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.310782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.310782 (E_RNA)
where:
Base-Base interactions energy: -615.720
where: short stacking energy: -265.544
Base-Backbone interact. energy: 1.064
local terms energy: -273.654364
where:
bonds (distance) C4'-P energy: -44.937
bonds (distance) P-C4' energy: -55.705
flat angles C4'-P-C4' energy: -61.803
flat angles P-C4'-P energy: -41.993
tors. eta vs tors. theta energy: -69.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -890.702494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.702494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.702494 (E_RNA)
where:
Base-Base interactions energy: -629.236
where: short stacking energy: -269.517
Base-Backbone interact. energy: 0.165
local terms energy: -261.631326
where:
bonds (distance) C4'-P energy: -51.908
bonds (distance) P-C4' energy: -49.162
flat angles C4'-P-C4' energy: -54.506
flat angles P-C4'-P energy: -34.941
tors. eta vs tors. theta energy: -71.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -880.170355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.170355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.170355 (E_RNA)
where:
Base-Base interactions energy: -610.739
where: short stacking energy: -264.054
Base-Backbone interact. energy: 0.637
local terms energy: -270.068915
where:
bonds (distance) C4'-P energy: -47.573
bonds (distance) P-C4' energy: -50.551
flat angles C4'-P-C4' energy: -58.194
flat angles P-C4'-P energy: -41.067
tors. eta vs tors. theta energy: -72.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -839.094013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.094013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.094013 (E_RNA)
where:
Base-Base interactions energy: -583.231
where: short stacking energy: -247.559
Base-Backbone interact. energy: 1.723
local terms energy: -257.585155
where:
bonds (distance) C4'-P energy: -44.258
bonds (distance) P-C4' energy: -49.970
flat angles C4'-P-C4' energy: -54.649
flat angles P-C4'-P energy: -36.840
tors. eta vs tors. theta energy: -71.869
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: 6
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -754.262645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.262645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.262645 (E_RNA)
where:
Base-Base interactions energy: -515.566
where: short stacking energy: -219.730
Base-Backbone interact. energy: -0.468
local terms energy: -238.228253
where:
bonds (distance) C4'-P energy: -49.166
bonds (distance) P-C4' energy: -45.611
flat angles C4'-P-C4' energy: -56.770
flat angles P-C4'-P energy: -31.760
tors. eta vs tors. theta energy: -54.922
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: 7
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -668.772001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.772001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.772001 (E_RNA)
where:
Base-Base interactions energy: -447.200
where: short stacking energy: -191.694
Base-Backbone interact. energy: 1.250
local terms energy: -222.822813
where:
bonds (distance) C4'-P energy: -43.034
bonds (distance) P-C4' energy: -51.135
flat angles C4'-P-C4' energy: -46.643
flat angles P-C4'-P energy: -31.108
tors. eta vs tors. theta energy: -50.903
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: 2
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -644.145457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.145457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.145457 (E_RNA)
where:
Base-Base interactions energy: -432.638
where: short stacking energy: -178.065
Base-Backbone interact. energy: 0.804
local terms energy: -212.310820
where:
bonds (distance) C4'-P energy: -39.817
bonds (distance) P-C4' energy: -45.751
flat angles C4'-P-C4' energy: -52.533
flat angles P-C4'-P energy: -30.032
tors. eta vs tors. theta energy: -44.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -616.117765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.117765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.117765 (E_RNA)
where:
Base-Base interactions energy: -401.843
where: short stacking energy: -171.589
Base-Backbone interact. energy: -1.120
local terms energy: -213.154469
where:
bonds (distance) C4'-P energy: -37.947
bonds (distance) P-C4' energy: -44.450
flat angles C4'-P-C4' energy: -49.790
flat angles P-C4'-P energy: -35.263
tors. eta vs tors. theta energy: -45.705
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: 9, replica: 10
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -240.249737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.249737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.249737 (E_RNA)
where:
Base-Base interactions energy: -78.349
where: short stacking energy: -69.403
Base-Backbone interact. energy: 2.070
local terms energy: -163.970719
where:
bonds (distance) C4'-P energy: -53.196
bonds (distance) P-C4' energy: -52.501
flat angles C4'-P-C4' energy: -36.046
flat angles P-C4'-P energy: -21.783
tors. eta vs tors. theta energy: -0.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -219.132195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.132195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.132195 (E_RNA)
where:
Base-Base interactions energy: -77.929
where: short stacking energy: -55.839
Base-Backbone interact. energy: -0.165
local terms energy: -141.037954
where:
bonds (distance) C4'-P energy: -42.409
bonds (distance) P-C4' energy: -50.625
flat angles C4'-P-C4' energy: -37.159
flat angles P-C4'-P energy: -17.910
tors. eta vs tors. theta energy: 7.065
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: 5
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -896.125521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.125521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.125521 (E_RNA)
where:
Base-Base interactions energy: -603.666
where: short stacking energy: -272.561
Base-Backbone interact. energy: -0.925
local terms energy: -291.535334
where:
bonds (distance) C4'-P energy: -59.827
bonds (distance) P-C4' energy: -51.634
flat angles C4'-P-C4' energy: -61.686
flat angles P-C4'-P energy: -45.214
tors. eta vs tors. theta energy: -73.176
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: 3
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -911.243738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.243738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.243738 (E_RNA)
where:
Base-Base interactions energy: -636.866
where: short stacking energy: -265.485
Base-Backbone interact. energy: 0.294
local terms energy: -274.671429
where:
bonds (distance) C4'-P energy: -45.438
bonds (distance) P-C4' energy: -57.820
flat angles C4'-P-C4' energy: -58.069
flat angles P-C4'-P energy: -41.181
tors. eta vs tors. theta energy: -72.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -855.686676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.686676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.686676 (E_RNA)
where:
Base-Base interactions energy: -591.002
where: short stacking energy: -262.056
Base-Backbone interact. energy: -1.344
local terms energy: -263.340754
where:
bonds (distance) C4'-P energy: -45.846
bonds (distance) P-C4' energy: -43.508
flat angles C4'-P-C4' energy: -56.450
flat angles P-C4'-P energy: -43.318
tors. eta vs tors. theta energy: -74.218
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: 4
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -803.069600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.069600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.069600 (E_RNA)
where:
Base-Base interactions energy: -541.309
where: short stacking energy: -217.261
Base-Backbone interact. energy: -0.541
local terms energy: -261.219171
where:
bonds (distance) C4'-P energy: -48.852
bonds (distance) P-C4' energy: -55.762
flat angles C4'-P-C4' energy: -59.123
flat angles P-C4'-P energy: -36.306
tors. eta vs tors. theta energy: -61.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -740.046991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.046991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.046991 (E_RNA)
where:
Base-Base interactions energy: -512.234
where: short stacking energy: -205.665
Base-Backbone interact. energy: -0.250
local terms energy: -227.562335
where:
bonds (distance) C4'-P energy: -48.621
bonds (distance) P-C4' energy: -46.762
flat angles C4'-P-C4' energy: -48.144
flat angles P-C4'-P energy: -34.078
tors. eta vs tors. theta energy: -49.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -686.943407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.943407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.943407 (E_RNA)
where:
Base-Base interactions energy: -456.766
where: short stacking energy: -212.090
Base-Backbone interact. energy: -0.562
local terms energy: -229.615341
where:
bonds (distance) C4'-P energy: -43.208
bonds (distance) P-C4' energy: -49.126
flat angles C4'-P-C4' energy: -52.319
flat angles P-C4'-P energy: -31.233
tors. eta vs tors. theta energy: -53.730
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: 7
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -664.030998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.030998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.030998 (E_RNA)
where:
Base-Base interactions energy: -460.120
where: short stacking energy: -198.620
Base-Backbone interact. energy: 1.699
local terms energy: -205.609376
where:
bonds (distance) C4'-P energy: -42.544
bonds (distance) P-C4' energy: -35.163
flat angles C4'-P-C4' energy: -44.296
flat angles P-C4'-P energy: -38.339
tors. eta vs tors. theta energy: -45.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -571.782991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.782991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.782991 (E_RNA)
where:
Base-Base interactions energy: -342.848
where: short stacking energy: -156.064
Base-Backbone interact. energy: 0.311
local terms energy: -229.246018
where:
bonds (distance) C4'-P energy: -47.648
bonds (distance) P-C4' energy: -59.698
flat angles C4'-P-C4' energy: -55.376
flat angles P-C4'-P energy: -30.501
tors. eta vs tors. theta energy: -36.023
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: 10
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -270.159881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.159881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.159881 (E_RNA)
where:
Base-Base interactions energy: -128.435
where: short stacking energy: -105.426
Base-Backbone interact. energy: -0.783
local terms energy: -140.941616
where:
bonds (distance) C4'-P energy: -28.191
bonds (distance) P-C4' energy: -46.267
flat angles C4'-P-C4' energy: -44.478
flat angles P-C4'-P energy: -11.861
tors. eta vs tors. theta energy: -10.144
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: 9
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -267.868746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.868746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.868746 (E_RNA)
where:
Base-Base interactions energy: -119.528
where: short stacking energy: -86.938
Base-Backbone interact. energy: 0.528
local terms energy: -148.868322
where:
bonds (distance) C4'-P energy: -40.847
bonds (distance) P-C4' energy: -43.761
flat angles C4'-P-C4' energy: -33.756
flat angles P-C4'-P energy: -27.234
tors. eta vs tors. theta energy: -3.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -884.120730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.120730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.120730 (E_RNA)
where:
Base-Base interactions energy: -604.768
where: short stacking energy: -258.966
Base-Backbone interact. energy: -1.840
local terms energy: -277.513602
where:
bonds (distance) C4'-P energy: -52.605
bonds (distance) P-C4' energy: -56.801
flat angles C4'-P-C4' energy: -54.868
flat angles P-C4'-P energy: -40.857
tors. eta vs tors. theta energy: -72.382
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: 2, replica: 3
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -902.192553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.192553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.192553 (E_RNA)
where:
Base-Base interactions energy: -636.586
where: short stacking energy: -260.405
Base-Backbone interact. energy: 1.418
local terms energy: -267.024595
where:
bonds (distance) C4'-P energy: -41.648
bonds (distance) P-C4' energy: -53.395
flat angles C4'-P-C4' energy: -60.273
flat angles P-C4'-P energy: -40.733
tors. eta vs tors. theta energy: -70.976
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: 94
Temperature: 1.000000
Total energy: -865.066266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.066266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.066266 (E_RNA)
where:
Base-Base interactions energy: -608.034
where: short stacking energy: -246.840
Base-Backbone interact. energy: -1.452
local terms energy: -255.580284
where:
bonds (distance) C4'-P energy: -42.684
bonds (distance) P-C4' energy: -50.455
flat angles C4'-P-C4' energy: -55.677
flat angles P-C4'-P energy: -36.022
tors. eta vs tors. theta energy: -70.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -821.608785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.608785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.608785 (E_RNA)
where:
Base-Base interactions energy: -546.040
where: short stacking energy: -250.065
Base-Backbone interact. energy: -0.783
local terms energy: -274.785830
where:
bonds (distance) C4'-P energy: -54.044
bonds (distance) P-C4' energy: -47.513
flat angles C4'-P-C4' energy: -52.969
flat angles P-C4'-P energy: -47.605
tors. eta vs tors. theta energy: -72.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -736.822533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.822533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.822533 (E_RNA)
where:
Base-Base interactions energy: -507.854
where: short stacking energy: -212.758
Base-Backbone interact. energy: 0.909
local terms energy: -229.877694
where:
bonds (distance) C4'-P energy: -52.478
bonds (distance) P-C4' energy: -44.758
flat angles C4'-P-C4' energy: -49.600
flat angles P-C4'-P energy: -36.391
tors. eta vs tors. theta energy: -46.650
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: 2
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -680.960978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.960978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.960978 (E_RNA)
where:
Base-Base interactions energy: -466.276
where: short stacking energy: -217.984
Base-Backbone interact. energy: 2.128
local terms energy: -216.813434
where:
bonds (distance) C4'-P energy: -44.626
bonds (distance) P-C4' energy: -45.910
flat angles C4'-P-C4' energy: -46.662
flat angles P-C4'-P energy: -30.498
tors. eta vs tors. theta energy: -49.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -615.726503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.726503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.726503 (E_RNA)
where:
Base-Base interactions energy: -417.454
where: short stacking energy: -186.345
Base-Backbone interact. energy: -0.728
local terms energy: -197.543542
where:
bonds (distance) C4'-P energy: -47.578
bonds (distance) P-C4' energy: -43.060
flat angles C4'-P-C4' energy: -40.791
flat angles P-C4'-P energy: -29.432
tors. eta vs tors. theta energy: -36.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -552.995539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.995539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.995539 (E_RNA)
where:
Base-Base interactions energy: -358.690
where: short stacking energy: -165.961
Base-Backbone interact. energy: -0.796
local terms energy: -193.509293
where:
bonds (distance) C4'-P energy: -38.484
bonds (distance) P-C4' energy: -43.197
flat angles C4'-P-C4' energy: -49.337
flat angles P-C4'-P energy: -29.614
tors. eta vs tors. theta energy: -32.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -295.197501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.197501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.197501 (E_RNA)
where:
Base-Base interactions energy: -149.037
where: short stacking energy: -84.548
Base-Backbone interact. energy: -0.406
local terms energy: -145.754819
where:
bonds (distance) C4'-P energy: -50.418
bonds (distance) P-C4' energy: -45.691
flat angles C4'-P-C4' energy: -31.141
flat angles P-C4'-P energy: -23.164
tors. eta vs tors. theta energy: 4.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -217.700168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.700168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.700168 (E_RNA)
where:
Base-Base interactions energy: -84.798
where: short stacking energy: -60.926
Base-Backbone interact. energy: -0.919
local terms energy: -131.983257
where:
bonds (distance) C4'-P energy: -36.179
bonds (distance) P-C4' energy: -51.677
flat angles C4'-P-C4' energy: -34.916
flat angles P-C4'-P energy: -22.996
tors. eta vs tors. theta energy: 13.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -891.743190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.743190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.743190 (E_RNA)
where:
Base-Base interactions energy: -608.722
where: short stacking energy: -272.303
Base-Backbone interact. energy: -1.555
local terms energy: -281.466356
where:
bonds (distance) C4'-P energy: -45.812
bonds (distance) P-C4' energy: -56.037
flat angles C4'-P-C4' energy: -61.938
flat angles P-C4'-P energy: -42.045
tors. eta vs tors. theta energy: -75.635
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: 2, replica: 3
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -895.556298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.556298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.556298 (E_RNA)
where:
Base-Base interactions energy: -620.535
where: short stacking energy: -251.705
Base-Backbone interact. energy: -1.747
local terms energy: -273.274567
where:
bonds (distance) C4'-P energy: -54.185
bonds (distance) P-C4' energy: -49.488
flat angles C4'-P-C4' energy: -57.704
flat angles P-C4'-P energy: -42.567
tors. eta vs tors. theta energy: -69.330
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: 3, replica: 1
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -891.468911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.468911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.468911 (E_RNA)
where:
Base-Base interactions energy: -606.735
where: short stacking energy: -254.907
Base-Backbone interact. energy: -3.615
local terms energy: -281.118553
where:
bonds (distance) C4'-P energy: -51.888
bonds (distance) P-C4' energy: -55.807
flat angles C4'-P-C4' energy: -56.192
flat angles P-C4'-P energy: -44.313
tors. eta vs tors. theta energy: -72.919
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: 4
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -805.813492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.813492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.813492 (E_RNA)
where:
Base-Base interactions energy: -551.054
where: short stacking energy: -233.435
Base-Backbone interact. energy: -0.361
local terms energy: -254.398609
where:
bonds (distance) C4'-P energy: -38.271
bonds (distance) P-C4' energy: -56.670
flat angles C4'-P-C4' energy: -51.407
flat angles P-C4'-P energy: -39.476
tors. eta vs tors. theta energy: -68.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -759.621648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.621648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.621648 (E_RNA)
where:
Base-Base interactions energy: -516.738
where: short stacking energy: -216.350
Base-Backbone interact. energy: 0.026
local terms energy: -242.909898
where:
bonds (distance) C4'-P energy: -47.968
bonds (distance) P-C4' energy: -47.873
flat angles C4'-P-C4' energy: -51.830
flat angles P-C4'-P energy: -35.558
tors. eta vs tors. theta energy: -59.680
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: 2
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -671.922717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.922717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.922717 (E_RNA)
where:
Base-Base interactions energy: -450.346
where: short stacking energy: -202.621
Base-Backbone interact. energy: -0.912
local terms energy: -220.664658
where:
bonds (distance) C4'-P energy: -45.298
bonds (distance) P-C4' energy: -42.945
flat angles C4'-P-C4' energy: -53.054
flat angles P-C4'-P energy: -32.629
tors. eta vs tors. theta energy: -46.739
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: 7, replica: 7
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -605.883673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.883673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.883673 (E_RNA)
where:
Base-Base interactions energy: -396.414
where: short stacking energy: -179.349
Base-Backbone interact. energy: 1.771
local terms energy: -211.240335
where:
bonds (distance) C4'-P energy: -38.950
bonds (distance) P-C4' energy: -55.276
flat angles C4'-P-C4' energy: -47.029
flat angles P-C4'-P energy: -29.464
tors. eta vs tors. theta energy: -40.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -540.223457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.223457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.223457 (E_RNA)
where:
Base-Base interactions energy: -335.278
where: short stacking energy: -164.303
Base-Backbone interact. energy: 0.020
local terms energy: -204.965487
where:
bonds (distance) C4'-P energy: -47.064
bonds (distance) P-C4' energy: -47.329
flat angles C4'-P-C4' energy: -48.255
flat angles P-C4'-P energy: -26.652
tors. eta vs tors. theta energy: -35.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -317.563675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.563675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.563675 (E_RNA)
where:
Base-Base interactions energy: -146.215
where: short stacking energy: -85.225
Base-Backbone interact. energy: -1.148
local terms energy: -170.201550
where:
bonds (distance) C4'-P energy: -49.169
bonds (distance) P-C4' energy: -53.209
flat angles C4'-P-C4' energy: -45.932
flat angles P-C4'-P energy: -19.911
tors. eta vs tors. theta energy: -1.981
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: 10, replica: 10
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -225.494261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.494261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.494261 (E_RNA)
where:
Base-Base interactions energy: -110.710
where: short stacking energy: -70.350
Base-Backbone interact. energy: -0.831
local terms energy: -113.953188
where:
bonds (distance) C4'-P energy: -44.199
bonds (distance) P-C4' energy: -20.842
flat angles C4'-P-C4' energy: -42.380
flat angles P-C4'-P energy: -10.504
tors. eta vs tors. theta energy: 3.973
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: 1, replica: 3
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -894.148367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.148367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.148367 (E_RNA)
where:
Base-Base interactions energy: -608.801
where: short stacking energy: -262.019
Base-Backbone interact. energy: -1.656
local terms energy: -283.691307
where:
bonds (distance) C4'-P energy: -57.624
bonds (distance) P-C4' energy: -50.333
flat angles C4'-P-C4' energy: -63.657
flat angles P-C4'-P energy: -45.026
tors. eta vs tors. theta energy: -67.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -878.900246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.900246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.900246 (E_RNA)
where:
Base-Base interactions energy: -596.410
where: short stacking energy: -261.600
Base-Backbone interact. energy: -0.943
local terms energy: -281.547531
where:
bonds (distance) C4'-P energy: -56.478
bonds (distance) P-C4' energy: -57.617
flat angles C4'-P-C4' energy: -53.607
flat angles P-C4'-P energy: -43.879
tors. eta vs tors. theta energy: -69.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -877.209927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.209927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.209927 (E_RNA)
where:
Base-Base interactions energy: -628.377
where: short stacking energy: -246.941
Base-Backbone interact. energy: -2.963
local terms energy: -245.869373
where:
bonds (distance) C4'-P energy: -45.233
bonds (distance) P-C4' energy: -32.723
flat angles C4'-P-C4' energy: -53.763
flat angles P-C4'-P energy: -42.586
tors. eta vs tors. theta energy: -71.564
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: 4
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -811.456026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.456026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.456026 (E_RNA)
where:
Base-Base interactions energy: -554.729
where: short stacking energy: -240.037
Base-Backbone interact. energy: -2.535
local terms energy: -254.191863
where:
bonds (distance) C4'-P energy: -49.597
bonds (distance) P-C4' energy: -51.643
flat angles C4'-P-C4' energy: -54.844
flat angles P-C4'-P energy: -36.494
tors. eta vs tors. theta energy: -61.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -723.822349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.822349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.822349 (E_RNA)
where:
Base-Base interactions energy: -482.770
where: short stacking energy: -221.994
Base-Backbone interact. energy: -1.572
local terms energy: -239.480932
where:
bonds (distance) C4'-P energy: -47.998
bonds (distance) P-C4' energy: -40.293
flat angles C4'-P-C4' energy: -61.705
flat angles P-C4'-P energy: -32.820
tors. eta vs tors. theta energy: -56.665
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: 6, replica: 2
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -671.087338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.087338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.087338 (E_RNA)
where:
Base-Base interactions energy: -459.248
where: short stacking energy: -190.804
Base-Backbone interact. energy: -1.023
local terms energy: -210.815962
where:
bonds (distance) C4'-P energy: -34.649
bonds (distance) P-C4' energy: -49.504
flat angles C4'-P-C4' energy: -50.621
flat angles P-C4'-P energy: -35.224
tors. eta vs tors. theta energy: -40.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -642.298899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.298899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.298899 (E_RNA)
where:
Base-Base interactions energy: -431.311
where: short stacking energy: -193.174
Base-Backbone interact. energy: -0.904
local terms energy: -210.084186
where:
bonds (distance) C4'-P energy: -38.918
bonds (distance) P-C4' energy: -43.890
flat angles C4'-P-C4' energy: -47.405
flat angles P-C4'-P energy: -37.759
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: 8, replica: 8
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -585.463768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.463768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.463768 (E_RNA)
where:
Base-Base interactions energy: -389.685
where: short stacking energy: -168.244
Base-Backbone interact. energy: -1.537
local terms energy: -194.241012
where:
bonds (distance) C4'-P energy: -43.249
bonds (distance) P-C4' energy: -40.109
flat angles C4'-P-C4' energy: -47.293
flat angles P-C4'-P energy: -21.001
tors. eta vs tors. theta energy: -42.589
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: 10
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -247.585371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.585371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.585371 (E_RNA)
where:
Base-Base interactions energy: -102.118
where: short stacking energy: -72.530
Base-Backbone interact. energy: -1.002
local terms energy: -144.465832
where:
bonds (distance) C4'-P energy: -39.674
bonds (distance) P-C4' energy: -38.009
flat angles C4'-P-C4' energy: -45.876
flat angles P-C4'-P energy: -29.673
tors. eta vs tors. theta energy: 8.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -282.376548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.376548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.376548 (E_RNA)
where:
Base-Base interactions energy: -133.781
where: short stacking energy: -80.556
Base-Backbone interact. energy: 0.761
local terms energy: -149.356411
where:
bonds (distance) C4'-P energy: -41.498
bonds (distance) P-C4' energy: -43.716
flat angles C4'-P-C4' energy: -39.099
flat angles P-C4'-P energy: -24.779
tors. eta vs tors. theta energy: -0.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -910.016786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.016786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.016786 (E_RNA)
where:
Base-Base interactions energy: -621.871
where: short stacking energy: -277.476
Base-Backbone interact. energy: 0.140
local terms energy: -288.285619
where:
bonds (distance) C4'-P energy: -49.839
bonds (distance) P-C4' energy: -60.573
flat angles C4'-P-C4' energy: -56.872
flat angles P-C4'-P energy: -47.020
tors. eta vs tors. theta energy: -73.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -901.501929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.501929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.501929 (E_RNA)
where:
Base-Base interactions energy: -615.898
where: short stacking energy: -251.495
Base-Backbone interact. energy: -4.024
local terms energy: -281.580204
where:
bonds (distance) C4'-P energy: -53.740
bonds (distance) P-C4' energy: -54.076
flat angles C4'-P-C4' energy: -58.308
flat angles P-C4'-P energy: -42.434
tors. eta vs tors. theta energy: -73.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -842.116225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.116225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.116225 (E_RNA)
where:
Base-Base interactions energy: -587.274
where: short stacking energy: -244.085
Base-Backbone interact. energy: -1.633
local terms energy: -253.209471
where:
bonds (distance) C4'-P energy: -52.169
bonds (distance) P-C4' energy: -41.006
flat angles C4'-P-C4' energy: -51.017
flat angles P-C4'-P energy: -39.334
tors. eta vs tors. theta energy: -69.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -817.417352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.417352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.417352 (E_RNA)
where:
Base-Base interactions energy: -538.865
where: short stacking energy: -236.335
Base-Backbone interact. energy: -0.480
local terms energy: -278.072710
where:
bonds (distance) C4'-P energy: -51.710
bonds (distance) P-C4' energy: -57.193
flat angles C4'-P-C4' energy: -56.924
flat angles P-C4'-P energy: -43.664
tors. eta vs tors. theta energy: -68.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -721.732752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.732752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.732752 (E_RNA)
where:
Base-Base interactions energy: -472.812
where: short stacking energy: -202.158
Base-Backbone interact. energy: -1.391
local terms energy: -247.529559
where:
bonds (distance) C4'-P energy: -48.572
bonds (distance) P-C4' energy: -46.915
flat angles C4'-P-C4' energy: -65.278
flat angles P-C4'-P energy: -37.092
tors. eta vs tors. theta energy: -49.673
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: 6, replica: 2
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -684.668956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.668956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.668956 (E_RNA)
where:
Base-Base interactions energy: -446.781
where: short stacking energy: -191.814
Base-Backbone interact. energy: -0.667
local terms energy: -237.221187
where:
bonds (distance) C4'-P energy: -42.346
bonds (distance) P-C4' energy: -52.806
flat angles C4'-P-C4' energy: -56.178
flat angles P-C4'-P energy: -34.548
tors. eta vs tors. theta energy: -51.344
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: 7
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -674.778640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.778640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.778640 (E_RNA)
where:
Base-Base interactions energy: -471.459
where: short stacking energy: -192.440
Base-Backbone interact. energy: -0.122
local terms energy: -203.197663
where:
bonds (distance) C4'-P energy: -36.473
bonds (distance) P-C4' energy: -45.713
flat angles C4'-P-C4' energy: -44.424
flat angles P-C4'-P energy: -35.507
tors. eta vs tors. theta energy: -41.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -556.684175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.684175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.684175 (E_RNA)
where:
Base-Base interactions energy: -362.971
where: short stacking energy: -156.826
Base-Backbone interact. energy: 1.196
local terms energy: -194.909459
where:
bonds (distance) C4'-P energy: -41.597
bonds (distance) P-C4' energy: -55.771
flat angles C4'-P-C4' energy: -42.802
flat angles P-C4'-P energy: -25.626
tors. eta vs tors. theta energy: -29.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -241.032071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.032071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.032071 (E_RNA)
where:
Base-Base interactions energy: -94.037
where: short stacking energy: -60.778
Base-Backbone interact. energy: 3.550
local terms energy: -150.544803
where:
bonds (distance) C4'-P energy: -50.247
bonds (distance) P-C4' energy: -44.854
flat angles C4'-P-C4' energy: -39.493
flat angles P-C4'-P energy: -27.769
tors. eta vs tors. theta energy: 11.818
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: 9
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -289.971680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.971680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.971680 (E_RNA)
where:
Base-Base interactions energy: -163.776
where: short stacking energy: -83.957
Base-Backbone interact. energy: 0.526
local terms energy: -126.721832
where:
bonds (distance) C4'-P energy: -37.401
bonds (distance) P-C4' energy: -46.757
flat angles C4'-P-C4' energy: -33.560
flat angles P-C4'-P energy: -10.454
tors. eta vs tors. theta energy: 1.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -927.063284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.063284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.063284 (E_RNA)
where:
Base-Base interactions energy: -637.691
where: short stacking energy: -271.142
Base-Backbone interact. energy: -0.923
local terms energy: -288.448718
where:
bonds (distance) C4'-P energy: -50.483
bonds (distance) P-C4' energy: -58.291
flat angles C4'-P-C4' energy: -62.191
flat angles P-C4'-P energy: -41.618
tors. eta vs tors. theta energy: -75.865
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: 3
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -867.450139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.450139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.450139 (E_RNA)
where:
Base-Base interactions energy: -604.325
where: short stacking energy: -254.308
Base-Backbone interact. energy: -1.002
local terms energy: -262.123037
where:
bonds (distance) C4'-P energy: -57.954
bonds (distance) P-C4' energy: -43.820
flat angles C4'-P-C4' energy: -55.284
flat angles P-C4'-P energy: -38.655
tors. eta vs tors. theta energy: -66.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -849.696250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.696250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.696250 (E_RNA)
where:
Base-Base interactions energy: -576.992
where: short stacking energy: -236.915
Base-Backbone interact. energy: 0.222
local terms energy: -272.926461
where:
bonds (distance) C4'-P energy: -47.782
bonds (distance) P-C4' energy: -51.816
flat angles C4'-P-C4' energy: -60.681
flat angles P-C4'-P energy: -44.142
tors. eta vs tors. theta energy: -68.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -841.244873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.244873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.244873 (E_RNA)
where:
Base-Base interactions energy: -585.179
where: short stacking energy: -246.212
Base-Backbone interact. energy: -0.567
local terms energy: -255.498699
where:
bonds (distance) C4'-P energy: -42.928
bonds (distance) P-C4' energy: -48.489
flat angles C4'-P-C4' energy: -55.232
flat angles P-C4'-P energy: -43.483
tors. eta vs tors. theta energy: -65.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -748.519807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.519807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.519807 (E_RNA)
where:
Base-Base interactions energy: -495.551
where: short stacking energy: -222.329
Base-Backbone interact. energy: -1.781
local terms energy: -251.187133
where:
bonds (distance) C4'-P energy: -47.436
bonds (distance) P-C4' energy: -53.786
flat angles C4'-P-C4' energy: -61.187
flat angles P-C4'-P energy: -37.057
tors. eta vs tors. theta energy: -51.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -652.937584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.937584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.937584 (E_RNA)
where:
Base-Base interactions energy: -443.552
where: short stacking energy: -175.804
Base-Backbone interact. energy: 2.597
local terms energy: -211.982034
where:
bonds (distance) C4'-P energy: -40.563
bonds (distance) P-C4' energy: -51.847
flat angles C4'-P-C4' energy: -50.601
flat angles P-C4'-P energy: -28.270
tors. eta vs tors. theta energy: -40.702
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: 7
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -653.510843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.510843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.510843 (E_RNA)
where:
Base-Base interactions energy: -428.769
where: short stacking energy: -197.796
Base-Backbone interact. energy: -1.384
local terms energy: -223.357525
where:
bonds (distance) C4'-P energy: -52.130
bonds (distance) P-C4' energy: -43.673
flat angles C4'-P-C4' energy: -54.418
flat angles P-C4'-P energy: -27.892
tors. eta vs tors. theta energy: -45.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -577.471867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.471867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.471867 (E_RNA)
where:
Base-Base interactions energy: -375.892
where: short stacking energy: -176.245
Base-Backbone interact. energy: -0.097
local terms energy: -201.483250
where:
bonds (distance) C4'-P energy: -44.025
bonds (distance) P-C4' energy: -36.371
flat angles C4'-P-C4' energy: -53.370
flat angles P-C4'-P energy: -23.466
tors. eta vs tors. theta energy: -44.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -330.900024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.900024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.900024 (E_RNA)
where:
Base-Base interactions energy: -150.288
where: short stacking energy: -93.811
Base-Backbone interact. energy: -0.359
local terms energy: -180.253176
where:
bonds (distance) C4'-P energy: -59.152
bonds (distance) P-C4' energy: -52.669
flat angles C4'-P-C4' energy: -39.492
flat angles P-C4'-P energy: -20.720
tors. eta vs tors. theta energy: -8.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -220.299313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.299313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.299313 (E_RNA)
where:
Base-Base interactions energy: -52.680
where: short stacking energy: -42.301
Base-Backbone interact. energy: 0.916
local terms energy: -168.534752
where:
bonds (distance) C4'-P energy: -40.051
bonds (distance) P-C4' energy: -52.940
flat angles C4'-P-C4' energy: -41.270
flat angles P-C4'-P energy: -37.715
tors. eta vs tors. theta energy: 3.440
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: 1
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -912.019366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.019366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.019366 (E_RNA)
where:
Base-Base interactions energy: -638.909
where: short stacking energy: -263.321
Base-Backbone interact. energy: -0.767
local terms energy: -272.344127
where:
bonds (distance) C4'-P energy: -56.094
bonds (distance) P-C4' energy: -47.315
flat angles C4'-P-C4' energy: -58.541
flat angles P-C4'-P energy: -38.832
tors. eta vs tors. theta energy: -71.562
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: 2, replica: 3
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -845.154910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.154910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.154910 (E_RNA)
where:
Base-Base interactions energy: -592.995
where: short stacking energy: -257.387
Base-Backbone interact. energy: -0.862
local terms energy: -251.297407
where:
bonds (distance) C4'-P energy: -47.231
bonds (distance) P-C4' energy: -48.522
flat angles C4'-P-C4' energy: -54.801
flat angles P-C4'-P energy: -36.623
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: 3, replica: 5
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -868.012785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.012785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.012785 (E_RNA)
where:
Base-Base interactions energy: -597.611
where: short stacking energy: -248.100
Base-Backbone interact. energy: -1.012
local terms energy: -269.389962
where:
bonds (distance) C4'-P energy: -49.442
bonds (distance) P-C4' energy: -56.869
flat angles C4'-P-C4' energy: -52.966
flat angles P-C4'-P energy: -36.722
tors. eta vs tors. theta energy: -73.391
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: 4
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -827.081976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.081976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.081976 (E_RNA)
where:
Base-Base interactions energy: -567.318
where: short stacking energy: -249.352
Base-Backbone interact. energy: -0.878
local terms energy: -258.885673
where:
bonds (distance) C4'-P energy: -39.182
bonds (distance) P-C4' energy: -56.426
flat angles C4'-P-C4' energy: -57.236
flat angles P-C4'-P energy: -38.288
tors. eta vs tors. theta energy: -67.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -667.249140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.249140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.249140 (E_RNA)
where:
Base-Base interactions energy: -457.902
where: short stacking energy: -213.918
Base-Backbone interact. energy: -1.742
local terms energy: -207.604813
where:
bonds (distance) C4'-P energy: -35.848
bonds (distance) P-C4' energy: -45.573
flat angles C4'-P-C4' energy: -43.069
flat angles P-C4'-P energy: -35.621
tors. eta vs tors. theta energy: -47.494
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: 6, replica: 7
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -667.108678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.108678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.108678 (E_RNA)
where:
Base-Base interactions energy: -449.806
where: short stacking energy: -207.754
Base-Backbone interact. energy: 1.670
local terms energy: -218.972543
where:
bonds (distance) C4'-P energy: -40.896
bonds (distance) P-C4' energy: -44.776
flat angles C4'-P-C4' energy: -51.111
flat angles P-C4'-P energy: -28.591
tors. eta vs tors. theta energy: -53.599
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: 2
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -615.598143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.598143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.598143 (E_RNA)
where:
Base-Base interactions energy: -400.745
where: short stacking energy: -173.484
Base-Backbone interact. energy: -0.276
local terms energy: -214.576890
where:
bonds (distance) C4'-P energy: -45.829
bonds (distance) P-C4' energy: -38.674
flat angles C4'-P-C4' energy: -48.171
flat angles P-C4'-P energy: -35.601
tors. eta vs tors. theta energy: -46.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -580.530075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.530075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.530075 (E_RNA)
where:
Base-Base interactions energy: -388.298
where: short stacking energy: -191.148
Base-Backbone interact. energy: 0.033
local terms energy: -192.265558
where:
bonds (distance) C4'-P energy: -46.723
bonds (distance) P-C4' energy: -38.099
flat angles C4'-P-C4' energy: -44.414
flat angles P-C4'-P energy: -17.350
tors. eta vs tors. theta energy: -45.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -365.305144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.305144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.305144 (E_RNA)
where:
Base-Base interactions energy: -191.342
where: short stacking energy: -87.411
Base-Backbone interact. energy: 0.139
local terms energy: -174.103006
where:
bonds (distance) C4'-P energy: -38.706
bonds (distance) P-C4' energy: -50.631
flat angles C4'-P-C4' energy: -39.153
flat angles P-C4'-P energy: -27.548
tors. eta vs tors. theta energy: -18.065
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: 10
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -223.366848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.366848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.366848 (E_RNA)
where:
Base-Base interactions energy: -78.608
where: short stacking energy: -75.245
Base-Backbone interact. energy: -0.332
local terms energy: -144.426348
where:
bonds (distance) C4'-P energy: -45.286
bonds (distance) P-C4' energy: -39.073
flat angles C4'-P-C4' energy: -37.206
flat angles P-C4'-P energy: -21.273
tors. eta vs tors. theta energy: -1.589
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: 1, replica: 1
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -909.593063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.593063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.593063 (E_RNA)
where:
Base-Base interactions energy: -628.697
where: short stacking energy: -255.810
Base-Backbone interact. energy: -1.576
local terms energy: -279.320001
where:
bonds (distance) C4'-P energy: -60.535
bonds (distance) P-C4' energy: -54.376
flat angles C4'-P-C4' energy: -55.354
flat angles P-C4'-P energy: -39.406
tors. eta vs tors. theta energy: -69.648
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: 2, replica: 3
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -859.911081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.911081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.911081 (E_RNA)
where:
Base-Base interactions energy: -590.427
where: short stacking energy: -263.010
Base-Backbone interact. energy: -1.150
local terms energy: -268.333449
where:
bonds (distance) C4'-P energy: -54.810
bonds (distance) P-C4' energy: -49.488
flat angles C4'-P-C4' energy: -58.044
flat angles P-C4'-P energy: -41.680
tors. eta vs tors. theta energy: -64.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -890.738424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.738424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.738424 (E_RNA)
where:
Base-Base interactions energy: -618.722
where: short stacking energy: -265.315
Base-Backbone interact. energy: -0.784
local terms energy: -271.232597
where:
bonds (distance) C4'-P energy: -49.213
bonds (distance) P-C4' energy: -49.482
flat angles C4'-P-C4' energy: -52.193
flat angles P-C4'-P energy: -45.021
tors. eta vs tors. theta energy: -75.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -834.317007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.317007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.317007 (E_RNA)
where:
Base-Base interactions energy: -575.550
where: short stacking energy: -247.669
Base-Backbone interact. energy: -1.288
local terms energy: -257.478392
where:
bonds (distance) C4'-P energy: -48.114
bonds (distance) P-C4' energy: -45.049
flat angles C4'-P-C4' energy: -60.230
flat angles P-C4'-P energy: -37.716
tors. eta vs tors. theta energy: -66.370
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: 7
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -676.674342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.674342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.674342 (E_RNA)
where:
Base-Base interactions energy: -440.588
where: short stacking energy: -194.028
Base-Backbone interact. energy: -0.828
local terms energy: -235.258372
where:
bonds (distance) C4'-P energy: -52.502
bonds (distance) P-C4' energy: -46.747
flat angles C4'-P-C4' energy: -53.303
flat angles P-C4'-P energy: -36.258
tors. eta vs tors. theta energy: -46.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -674.723219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.723219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.723219 (E_RNA)
where:
Base-Base interactions energy: -426.789
where: short stacking energy: -180.315
Base-Backbone interact. energy: -1.019
local terms energy: -246.915113
where:
bonds (distance) C4'-P energy: -56.260
bonds (distance) P-C4' energy: -48.868
flat angles C4'-P-C4' energy: -59.558
flat angles P-C4'-P energy: -37.569
tors. eta vs tors. theta energy: -44.660
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: 7, replica: 2
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -649.800126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.800126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.800126 (E_RNA)
where:
Base-Base interactions energy: -447.635
where: short stacking energy: -185.500
Base-Backbone interact. energy: 3.542
local terms energy: -205.707324
where:
bonds (distance) C4'-P energy: -47.818
bonds (distance) P-C4' energy: -36.570
flat angles C4'-P-C4' energy: -43.369
flat angles P-C4'-P energy: -34.450
tors. eta vs tors. theta energy: -43.500
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: 8, replica: 8
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -544.938423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.938423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.938423 (E_RNA)
where:
Base-Base interactions energy: -366.929
where: short stacking energy: -165.957
Base-Backbone interact. energy: 0.752
local terms energy: -178.760724
where:
bonds (distance) C4'-P energy: -41.862
bonds (distance) P-C4' energy: -41.505
flat angles C4'-P-C4' energy: -47.545
flat angles P-C4'-P energy: -17.517
tors. eta vs tors. theta energy: -30.333
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: 9
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -365.209813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.209813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.209813 (E_RNA)
where:
Base-Base interactions energy: -201.094
where: short stacking energy: -103.325
Base-Backbone interact. energy: 0.153
local terms energy: -164.268509
where:
bonds (distance) C4'-P energy: -38.891
bonds (distance) P-C4' energy: -42.991
flat angles C4'-P-C4' energy: -43.397
flat angles P-C4'-P energy: -26.573
tors. eta vs tors. theta energy: -12.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -224.668874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.668874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.668874 (E_RNA)
where:
Base-Base interactions energy: -77.108
where: short stacking energy: -64.979
Base-Backbone interact. energy: 0.279
local terms energy: -147.839543
where:
bonds (distance) C4'-P energy: -42.512
bonds (distance) P-C4' energy: -56.080
flat angles C4'-P-C4' energy: -47.286
flat angles P-C4'-P energy: -7.264
tors. eta vs tors. theta energy: 5.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -913.061148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.061148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.061148 (E_RNA)
where:
Base-Base interactions energy: -635.873
where: short stacking energy: -262.994
Base-Backbone interact. energy: 0.296
local terms energy: -277.484038
where:
bonds (distance) C4'-P energy: -51.595
bonds (distance) P-C4' energy: -53.313
flat angles C4'-P-C4' energy: -61.196
flat angles P-C4'-P energy: -38.096
tors. eta vs tors. theta energy: -73.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -893.225805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.225805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.225805 (E_RNA)
where:
Base-Base interactions energy: -610.889
where: short stacking energy: -265.101
Base-Backbone interact. energy: -0.450
local terms energy: -281.886390
where:
bonds (distance) C4'-P energy: -50.091
bonds (distance) P-C4' energy: -59.155
flat angles C4'-P-C4' energy: -57.120
flat angles P-C4'-P energy: -41.582
tors. eta vs tors. theta energy: -73.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -841.021311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.021311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.021311 (E_RNA)
where:
Base-Base interactions energy: -575.098
where: short stacking energy: -244.357
Base-Backbone interact. energy: -0.762
local terms energy: -265.161179
where:
bonds (distance) C4'-P energy: -48.870
bonds (distance) P-C4' energy: -52.854
flat angles C4'-P-C4' energy: -61.167
flat angles P-C4'-P energy: -36.847
tors. eta vs tors. theta energy: -65.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -828.248357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.248357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.248357 (E_RNA)
where:
Base-Base interactions energy: -569.609
where: short stacking energy: -243.247
Base-Backbone interact. energy: 0.531
local terms energy: -259.170032
where:
bonds (distance) C4'-P energy: -48.327
bonds (distance) P-C4' energy: -53.269
flat angles C4'-P-C4' energy: -59.080
flat angles P-C4'-P energy: -33.298
tors. eta vs tors. theta energy: -65.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -705.057468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.057468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.057468 (E_RNA)
where:
Base-Base interactions energy: -458.551
where: short stacking energy: -214.271
Base-Backbone interact. energy: -0.813
local terms energy: -245.693167
where:
bonds (distance) C4'-P energy: -48.273
bonds (distance) P-C4' energy: -55.117
flat angles C4'-P-C4' energy: -49.741
flat angles P-C4'-P energy: -32.585
tors. eta vs tors. theta energy: -59.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -700.423359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.423359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.423359 (E_RNA)
where:
Base-Base interactions energy: -481.089
where: short stacking energy: -210.812
Base-Backbone interact. energy: -0.467
local terms energy: -218.867509
where:
bonds (distance) C4'-P energy: -39.703
bonds (distance) P-C4' energy: -39.827
flat angles C4'-P-C4' energy: -56.720
flat angles P-C4'-P energy: -34.167
tors. eta vs tors. theta energy: -48.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -610.847170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.847170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.847170 (E_RNA)
where:
Base-Base interactions energy: -395.150
where: short stacking energy: -171.492
Base-Backbone interact. energy: -1.580
local terms energy: -214.116982
where:
bonds (distance) C4'-P energy: -46.368
bonds (distance) P-C4' energy: -46.409
flat angles C4'-P-C4' energy: -57.510
flat angles P-C4'-P energy: -25.410
tors. eta vs tors. theta energy: -38.420
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: 8
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -543.726374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.726374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.726374 (E_RNA)
where:
Base-Base interactions energy: -347.024
where: short stacking energy: -165.228
Base-Backbone interact. energy: 1.452
local terms energy: -198.154590
where:
bonds (distance) C4'-P energy: -45.911
bonds (distance) P-C4' energy: -41.802
flat angles C4'-P-C4' energy: -49.096
flat angles P-C4'-P energy: -25.840
tors. eta vs tors. theta energy: -35.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -285.781734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.781734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.781734 (E_RNA)
where:
Base-Base interactions energy: -140.214
where: short stacking energy: -87.195
Base-Backbone interact. energy: -0.496
local terms energy: -145.072408
where:
bonds (distance) C4'-P energy: -52.619
bonds (distance) P-C4' energy: -34.828
flat angles C4'-P-C4' energy: -32.140
flat angles P-C4'-P energy: -23.851
tors. eta vs tors. theta energy: -1.634
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: 10, replica: 10
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -216.872494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.872494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.872494 (E_RNA)
where:
Base-Base interactions energy: -73.370
where: short stacking energy: -67.664
Base-Backbone interact. energy: 0.575
local terms energy: -144.076561
where:
bonds (distance) C4'-P energy: -31.760
bonds (distance) P-C4' energy: -54.063
flat angles C4'-P-C4' energy: -36.584
flat angles P-C4'-P energy: -21.756
tors. eta vs tors. theta energy: 0.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -919.074108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.074108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.074108 (E_RNA)
where:
Base-Base interactions energy: -639.056
where: short stacking energy: -264.689
Base-Backbone interact. energy: -1.832
local terms energy: -278.185591
where:
bonds (distance) C4'-P energy: -55.157
bonds (distance) P-C4' energy: -54.675
flat angles C4'-P-C4' energy: -59.563
flat angles P-C4'-P energy: -32.799
tors. eta vs tors. theta energy: -75.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -879.289553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.289553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.289553 (E_RNA)
where:
Base-Base interactions energy: -606.473
where: short stacking energy: -258.537
Base-Backbone interact. energy: -1.339
local terms energy: -271.478230
where:
bonds (distance) C4'-P energy: -51.595
bonds (distance) P-C4' energy: -51.056
flat angles C4'-P-C4' energy: -59.882
flat angles P-C4'-P energy: -43.517
tors. eta vs tors. theta energy: -65.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -854.195439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.195439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.195439 (E_RNA)
where:
Base-Base interactions energy: -572.649
where: short stacking energy: -245.387
Base-Backbone interact. energy: -1.764
local terms energy: -279.782278
where:
bonds (distance) C4'-P energy: -62.144
bonds (distance) P-C4' energy: -46.909
flat angles C4'-P-C4' energy: -57.602
flat angles P-C4'-P energy: -40.303
tors. eta vs tors. theta energy: -72.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -818.558374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.558374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.558374 (E_RNA)
where:
Base-Base interactions energy: -569.121
where: short stacking energy: -227.861
Base-Backbone interact. energy: -1.238
local terms energy: -248.199356
where:
bonds (distance) C4'-P energy: -44.193
bonds (distance) P-C4' energy: -46.822
flat angles C4'-P-C4' energy: -58.553
flat angles P-C4'-P energy: -34.798
tors. eta vs tors. theta energy: -63.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -701.415601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.415601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.415601 (E_RNA)
where:
Base-Base interactions energy: -470.383
where: short stacking energy: -209.142
Base-Backbone interact. energy: 0.552
local terms energy: -231.584303
where:
bonds (distance) C4'-P energy: -46.479
bonds (distance) P-C4' energy: -51.616
flat angles C4'-P-C4' energy: -52.063
flat angles P-C4'-P energy: -32.732
tors. eta vs tors. theta energy: -48.695
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: 6
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -645.975796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.975796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.975796 (E_RNA)
where:
Base-Base interactions energy: -413.677
where: short stacking energy: -197.175
Base-Backbone interact. energy: -0.725
local terms energy: -231.573321
where:
bonds (distance) C4'-P energy: -38.246
bonds (distance) P-C4' energy: -49.775
flat angles C4'-P-C4' energy: -51.518
flat angles P-C4'-P energy: -37.499
tors. eta vs tors. theta energy: -54.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -524.863250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.863250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.863250 (E_RNA)
where:
Base-Base interactions energy: -339.698
where: short stacking energy: -168.292
Base-Backbone interact. energy: -0.408
local terms energy: -184.757812
where:
bonds (distance) C4'-P energy: -37.592
bonds (distance) P-C4' energy: -43.228
flat angles C4'-P-C4' energy: -42.944
flat angles P-C4'-P energy: -29.519
tors. eta vs tors. theta energy: -31.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -611.836426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.836426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.836426 (E_RNA)
where:
Base-Base interactions energy: -393.315
where: short stacking energy: -175.593
Base-Backbone interact. energy: -1.061
local terms energy: -217.460199
where:
bonds (distance) C4'-P energy: -46.311
bonds (distance) P-C4' energy: -38.400
flat angles C4'-P-C4' energy: -51.793
flat angles P-C4'-P energy: -32.355
tors. eta vs tors. theta energy: -48.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -315.830688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.830688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.830688 (E_RNA)
where:
Base-Base interactions energy: -149.842
where: short stacking energy: -74.925
Base-Backbone interact. energy: 0.561
local terms energy: -166.549502
where:
bonds (distance) C4'-P energy: -42.469
bonds (distance) P-C4' energy: -46.411
flat angles C4'-P-C4' energy: -44.191
flat angles P-C4'-P energy: -30.790
tors. eta vs tors. theta energy: -2.688
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: 10, replica: 10
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -212.897124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.897124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.897124 (E_RNA)
where:
Base-Base interactions energy: -70.387
where: short stacking energy: -63.156
Base-Backbone interact. energy: 0.096
local terms energy: -142.606903
where:
bonds (distance) C4'-P energy: -43.525
bonds (distance) P-C4' energy: -48.791
flat angles C4'-P-C4' energy: -39.661
flat angles P-C4'-P energy: -17.946
tors. eta vs tors. theta energy: 7.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -909.208832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.208832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.208832 (E_RNA)
where:
Base-Base interactions energy: -618.536
where: short stacking energy: -257.070
Base-Backbone interact. energy: -1.131
local terms energy: -289.542263
where:
bonds (distance) C4'-P energy: -56.888
bonds (distance) P-C4' energy: -54.712
flat angles C4'-P-C4' energy: -65.978
flat angles P-C4'-P energy: -40.955
tors. eta vs tors. theta energy: -71.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -868.892355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.892355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.892355 (E_RNA)
where:
Base-Base interactions energy: -584.411
where: short stacking energy: -254.435
Base-Backbone interact. energy: -1.174
local terms energy: -283.307354
where:
bonds (distance) C4'-P energy: -60.225
bonds (distance) P-C4' energy: -55.744
flat angles C4'-P-C4' energy: -53.094
flat angles P-C4'-P energy: -42.260
tors. eta vs tors. theta energy: -71.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -838.822308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.822308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.822308 (E_RNA)
where:
Base-Base interactions energy: -574.633
where: short stacking energy: -248.928
Base-Backbone interact. energy: -0.609
local terms energy: -263.580429
where:
bonds (distance) C4'-P energy: -46.347
bonds (distance) P-C4' energy: -55.612
flat angles C4'-P-C4' energy: -55.329
flat angles P-C4'-P energy: -34.265
tors. eta vs tors. theta energy: -72.028
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: 3
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -841.359752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.359752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.359752 (E_RNA)
where:
Base-Base interactions energy: -592.277
where: short stacking energy: -253.406
Base-Backbone interact. energy: -0.972
local terms energy: -248.110771
where:
bonds (distance) C4'-P energy: -45.131
bonds (distance) P-C4' energy: -51.255
flat angles C4'-P-C4' energy: -60.875
flat angles P-C4'-P energy: -28.298
tors. eta vs tors. theta energy: -62.552
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: 5, replica: 7
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -709.179757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.179757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.179757 (E_RNA)
where:
Base-Base interactions energy: -467.113
where: short stacking energy: -215.286
Base-Backbone interact. energy: 0.507
local terms energy: -242.573901
where:
bonds (distance) C4'-P energy: -50.798
bonds (distance) P-C4' energy: -45.025
flat angles C4'-P-C4' energy: -48.402
flat angles P-C4'-P energy: -43.499
tors. eta vs tors. theta energy: -54.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -642.193693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.193693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.193693 (E_RNA)
where:
Base-Base interactions energy: -401.774
where: short stacking energy: -196.950
Base-Backbone interact. energy: -1.627
local terms energy: -238.793074
where:
bonds (distance) C4'-P energy: -52.348
bonds (distance) P-C4' energy: -51.647
flat angles C4'-P-C4' energy: -52.888
flat angles P-C4'-P energy: -31.442
tors. eta vs tors. theta energy: -50.468
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: 8
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -538.631827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.631827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.631827 (E_RNA)
where:
Base-Base interactions energy: -352.303
where: short stacking energy: -155.831
Base-Backbone interact. energy: -0.990
local terms energy: -185.338838
where:
bonds (distance) C4'-P energy: -38.301
bonds (distance) P-C4' energy: -43.897
flat angles C4'-P-C4' energy: -46.298
flat angles P-C4'-P energy: -35.631
tors. eta vs tors. theta energy: -21.212
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: 2
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -565.661454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.661454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.661454 (E_RNA)
where:
Base-Base interactions energy: -372.737
where: short stacking energy: -172.600
Base-Backbone interact. energy: 0.664
local terms energy: -193.588905
where:
bonds (distance) C4'-P energy: -48.507
bonds (distance) P-C4' energy: -39.142
flat angles C4'-P-C4' energy: -43.632
flat angles P-C4'-P energy: -26.496
tors. eta vs tors. theta energy: -35.812
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: 9
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -291.357584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.357584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.357584 (E_RNA)
where:
Base-Base interactions energy: -117.005
where: short stacking energy: -84.809
Base-Backbone interact. energy: -0.824
local terms energy: -173.528345
where:
bonds (distance) C4'-P energy: -49.830
bonds (distance) P-C4' energy: -55.745
flat angles C4'-P-C4' energy: -36.375
flat angles P-C4'-P energy: -30.930
tors. eta vs tors. theta energy: -0.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -220.190613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.190613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.190613 (E_RNA)
where:
Base-Base interactions energy: -89.907
where: short stacking energy: -69.299
Base-Backbone interact. energy: -0.190
local terms energy: -130.093359
where:
bonds (distance) C4'-P energy: -53.167
bonds (distance) P-C4' energy: -42.110
flat angles C4'-P-C4' energy: -24.853
flat angles P-C4'-P energy: -16.960
tors. eta vs tors. theta energy: 6.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -909.773930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.773930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.773930 (E_RNA)
where:
Base-Base interactions energy: -626.461
where: short stacking energy: -258.865
Base-Backbone interact. energy: 1.143
local terms energy: -284.455227
where:
bonds (distance) C4'-P energy: -54.078
bonds (distance) P-C4' energy: -60.797
flat angles C4'-P-C4' energy: -58.642
flat angles P-C4'-P energy: -36.152
tors. eta vs tors. theta energy: -74.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -879.906628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.906628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.906628 (E_RNA)
where:
Base-Base interactions energy: -608.535
where: short stacking energy: -260.697
Base-Backbone interact. energy: -1.422
local terms energy: -269.949111
where:
bonds (distance) C4'-P energy: -51.909
bonds (distance) P-C4' energy: -49.023
flat angles C4'-P-C4' energy: -54.312
flat angles P-C4'-P energy: -43.876
tors. eta vs tors. theta energy: -70.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -838.423792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.423792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.423792 (E_RNA)
where:
Base-Base interactions energy: -584.698
where: short stacking energy: -245.015
Base-Backbone interact. energy: -0.847
local terms energy: -252.879248
where:
bonds (distance) C4'-P energy: -48.249
bonds (distance) P-C4' energy: -36.918
flat angles C4'-P-C4' energy: -60.008
flat angles P-C4'-P energy: -35.503
tors. eta vs tors. theta energy: -72.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -816.392977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.392977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.392977 (E_RNA)
where:
Base-Base interactions energy: -575.437
where: short stacking energy: -244.322
Base-Backbone interact. energy: -2.208
local terms energy: -238.748227
where:
bonds (distance) C4'-P energy: -37.212
bonds (distance) P-C4' energy: -51.445
flat angles C4'-P-C4' energy: -54.561
flat angles P-C4'-P energy: -26.199
tors. eta vs tors. theta energy: -69.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -695.212145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.212145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.212145 (E_RNA)
where:
Base-Base interactions energy: -453.542
where: short stacking energy: -221.391
Base-Backbone interact. energy: -0.440
local terms energy: -241.229797
where:
bonds (distance) C4'-P energy: -46.157
bonds (distance) P-C4' energy: -41.600
flat angles C4'-P-C4' energy: -62.631
flat angles P-C4'-P energy: -37.261
tors. eta vs tors. theta energy: -53.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -646.976419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.976419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.976419 (E_RNA)
where:
Base-Base interactions energy: -426.442
where: short stacking energy: -206.278
Base-Backbone interact. energy: -1.458
local terms energy: -219.076469
where:
bonds (distance) C4'-P energy: -37.463
bonds (distance) P-C4' energy: -44.936
flat angles C4'-P-C4' energy: -50.919
flat angles P-C4'-P energy: -37.831
tors. eta vs tors. theta energy: -47.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -565.166352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.166352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.166352 (E_RNA)
where:
Base-Base interactions energy: -355.840
where: short stacking energy: -177.388
Base-Backbone interact. energy: -0.360
local terms energy: -208.966183
where:
bonds (distance) C4'-P energy: -55.984
bonds (distance) P-C4' energy: -45.593
flat angles C4'-P-C4' energy: -43.366
flat angles P-C4'-P energy: -21.960
tors. eta vs tors. theta energy: -42.064
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: 2
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -574.019497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.019497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.019497 (E_RNA)
where:
Base-Base interactions energy: -374.947
where: short stacking energy: -160.378
Base-Backbone interact. energy: -0.868
local terms energy: -198.204785
where:
bonds (distance) C4'-P energy: -48.925
bonds (distance) P-C4' energy: -50.923
flat angles C4'-P-C4' energy: -46.959
flat angles P-C4'-P energy: -20.785
tors. eta vs tors. theta energy: -30.612
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: 10
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -247.410344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.410344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.410344 (E_RNA)
where:
Base-Base interactions energy: -87.423
where: short stacking energy: -87.463
Base-Backbone interact. energy: 0.683
local terms energy: -160.670743
where:
bonds (distance) C4'-P energy: -50.281
bonds (distance) P-C4' energy: -39.974
flat angles C4'-P-C4' energy: -38.182
flat angles P-C4'-P energy: -25.729
tors. eta vs tors. theta energy: -6.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -241.103295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.103295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.103295 (E_RNA)
where:
Base-Base interactions energy: -95.763
where: short stacking energy: -65.580
Base-Backbone interact. energy: 0.033
local terms energy: -145.373090
where:
bonds (distance) C4'-P energy: -43.181
bonds (distance) P-C4' energy: -38.431
flat angles C4'-P-C4' energy: -28.378
flat angles P-C4'-P energy: -35.329
tors. eta vs tors. theta energy: -0.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -920.258544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.258544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.258544 (E_RNA)
where:
Base-Base interactions energy: -639.974
where: short stacking energy: -274.060
Base-Backbone interact. energy: -1.970
local terms energy: -278.314547
where:
bonds (distance) C4'-P energy: -49.794
bonds (distance) P-C4' energy: -54.545
flat angles C4'-P-C4' energy: -63.688
flat angles P-C4'-P energy: -43.062
tors. eta vs tors. theta energy: -67.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -858.494605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.494605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.494605 (E_RNA)
where:
Base-Base interactions energy: -593.219
where: short stacking energy: -266.303
Base-Backbone interact. energy: 3.127
local terms energy: -268.402233
where:
bonds (distance) C4'-P energy: -45.526
bonds (distance) P-C4' energy: -48.637
flat angles C4'-P-C4' energy: -62.926
flat angles P-C4'-P energy: -39.937
tors. eta vs tors. theta energy: -71.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -861.621209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.621209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.621209 (E_RNA)
where:
Base-Base interactions energy: -601.362
where: short stacking energy: -259.557
Base-Backbone interact. energy: 1.348
local terms energy: -261.607225
where:
bonds (distance) C4'-P energy: -49.944
bonds (distance) P-C4' energy: -54.691
flat angles C4'-P-C4' energy: -50.461
flat angles P-C4'-P energy: -39.192
tors. eta vs tors. theta energy: -67.319
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: 4
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -837.535391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.535391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.535391 (E_RNA)
where:
Base-Base interactions energy: -562.200
where: short stacking energy: -239.557
Base-Backbone interact. energy: -1.376
local terms energy: -273.959278
where:
bonds (distance) C4'-P energy: -49.048
bonds (distance) P-C4' energy: -51.071
flat angles C4'-P-C4' energy: -63.299
flat angles P-C4'-P energy: -39.527
tors. eta vs tors. theta energy: -71.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -704.645623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.645623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.645623 (E_RNA)
where:
Base-Base interactions energy: -459.494
where: short stacking energy: -217.940
Base-Backbone interact. energy: -0.284
local terms energy: -244.867628
where:
bonds (distance) C4'-P energy: -50.944
bonds (distance) P-C4' energy: -46.925
flat angles C4'-P-C4' energy: -55.563
flat angles P-C4'-P energy: -35.446
tors. eta vs tors. theta energy: -55.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -688.323627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.323627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.323627 (E_RNA)
where:
Base-Base interactions energy: -476.451
where: short stacking energy: -204.693
Base-Backbone interact. energy: -0.438
local terms energy: -211.435249
where:
bonds (distance) C4'-P energy: -37.390
bonds (distance) P-C4' energy: -51.087
flat angles C4'-P-C4' energy: -48.909
flat angles P-C4'-P energy: -30.543
tors. eta vs tors. theta energy: -43.505
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: 7, replica: 8
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -568.554388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.554388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.554388 (E_RNA)
where:
Base-Base interactions energy: -356.765
where: short stacking energy: -167.408
Base-Backbone interact. energy: 0.463
local terms energy: -212.252579
where:
bonds (distance) C4'-P energy: -36.119
bonds (distance) P-C4' energy: -49.948
flat angles C4'-P-C4' energy: -52.166
flat angles P-C4'-P energy: -34.558
tors. eta vs tors. theta energy: -39.462
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: 2
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -579.699107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.699107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.699107 (E_RNA)
where:
Base-Base interactions energy: -381.140
where: short stacking energy: -168.842
Base-Backbone interact. energy: 0.018
local terms energy: -198.576788
where:
bonds (distance) C4'-P energy: -37.705
bonds (distance) P-C4' energy: -47.173
flat angles C4'-P-C4' energy: -47.261
flat angles P-C4'-P energy: -30.749
tors. eta vs tors. theta energy: -35.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -247.071771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.071771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.071771 (E_RNA)
where:
Base-Base interactions energy: -89.930
where: short stacking energy: -77.516
Base-Backbone interact. energy: -0.414
local terms energy: -156.727619
where:
bonds (distance) C4'-P energy: -47.254
bonds (distance) P-C4' energy: -44.702
flat angles C4'-P-C4' energy: -37.753
flat angles P-C4'-P energy: -20.406
tors. eta vs tors. theta energy: -6.613
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: 9
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -219.149490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.149490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.149490 (E_RNA)
where:
Base-Base interactions energy: -88.916
where: short stacking energy: -64.652
Base-Backbone interact. energy: 1.286
local terms energy: -131.519462
where:
bonds (distance) C4'-P energy: -47.885
bonds (distance) P-C4' energy: -41.943
flat angles C4'-P-C4' energy: -38.505
flat angles P-C4'-P energy: -16.452
tors. eta vs tors. theta energy: 13.266
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: 3
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -897.380350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.380350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.380350 (E_RNA)
where:
Base-Base interactions energy: -619.053
where: short stacking energy: -274.026
Base-Backbone interact. energy: -2.749
local terms energy: -275.578295
where:
bonds (distance) C4'-P energy: -43.815
bonds (distance) P-C4' energy: -57.586
flat angles C4'-P-C4' energy: -62.353
flat angles P-C4'-P energy: -37.886
tors. eta vs tors. theta energy: -73.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -900.761759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.761759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.761759 (E_RNA)
where:
Base-Base interactions energy: -610.022
where: short stacking energy: -263.667
Base-Backbone interact. energy: -1.880
local terms energy: -288.860063
where:
bonds (distance) C4'-P energy: -50.999
bonds (distance) P-C4' energy: -50.305
flat angles C4'-P-C4' energy: -64.513
flat angles P-C4'-P energy: -51.021
tors. eta vs tors. theta energy: -72.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -841.132514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.132514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.132514 (E_RNA)
where:
Base-Base interactions energy: -567.552
where: short stacking energy: -239.041
Base-Backbone interact. energy: -0.637
local terms energy: -272.944228
where:
bonds (distance) C4'-P energy: -52.981
bonds (distance) P-C4' energy: -52.938
flat angles C4'-P-C4' energy: -60.112
flat angles P-C4'-P energy: -39.022
tors. eta vs tors. theta energy: -67.891
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: 4
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -812.595484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.595484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.595484 (E_RNA)
where:
Base-Base interactions energy: -556.745
where: short stacking energy: -242.637
Base-Backbone interact. energy: -3.047
local terms energy: -252.803669
where:
bonds (distance) C4'-P energy: -46.897
bonds (distance) P-C4' energy: -50.547
flat angles C4'-P-C4' energy: -61.189
flat angles P-C4'-P energy: -38.722
tors. eta vs tors. theta energy: -55.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -711.571556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.571556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.571556 (E_RNA)
where:
Base-Base interactions energy: -473.027
where: short stacking energy: -203.665
Base-Backbone interact. energy: 1.072
local terms energy: -239.616584
where:
bonds (distance) C4'-P energy: -52.524
bonds (distance) P-C4' energy: -48.436
flat angles C4'-P-C4' energy: -50.328
flat angles P-C4'-P energy: -29.660
tors. eta vs tors. theta energy: -58.668
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: 6
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -670.091545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.091545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.091545 (E_RNA)
where:
Base-Base interactions energy: -450.733
where: short stacking energy: -209.379
Base-Backbone interact. energy: -0.691
local terms energy: -218.667192
where:
bonds (distance) C4'-P energy: -42.944
bonds (distance) P-C4' energy: -40.700
flat angles C4'-P-C4' energy: -50.175
flat angles P-C4'-P energy: -39.176
tors. eta vs tors. theta energy: -45.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -545.104506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.104506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.104506 (E_RNA)
where:
Base-Base interactions energy: -336.056
where: short stacking energy: -149.841
Base-Backbone interact. energy: -1.535
local terms energy: -207.513421
where:
bonds (distance) C4'-P energy: -40.616
bonds (distance) P-C4' energy: -48.914
flat angles C4'-P-C4' energy: -48.825
flat angles P-C4'-P energy: -32.283
tors. eta vs tors. theta energy: -36.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -601.150805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.150805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.150805 (E_RNA)
where:
Base-Base interactions energy: -406.210
where: short stacking energy: -189.202
Base-Backbone interact. energy: 4.925
local terms energy: -199.865409
where:
bonds (distance) C4'-P energy: -42.576
bonds (distance) P-C4' energy: -33.888
flat angles C4'-P-C4' energy: -54.252
flat angles P-C4'-P energy: -24.235
tors. eta vs tors. theta energy: -44.916
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: 9
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -255.121014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.121014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.121014 (E_RNA)
where:
Base-Base interactions energy: -98.226
where: short stacking energy: -85.578
Base-Backbone interact. energy: -1.079
local terms energy: -155.815549
where:
bonds (distance) C4'-P energy: -39.806
bonds (distance) P-C4' energy: -45.942
flat angles C4'-P-C4' energy: -43.327
flat angles P-C4'-P energy: -30.304
tors. eta vs tors. theta energy: 3.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -249.878767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.878767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.878767 (E_RNA)
where:
Base-Base interactions energy: -113.369
where: short stacking energy: -67.681
Base-Backbone interact. energy: -0.081
local terms energy: -136.428702
where:
bonds (distance) C4'-P energy: -30.453
bonds (distance) P-C4' energy: -49.439
flat angles C4'-P-C4' energy: -44.435
flat angles P-C4'-P energy: -12.357
tors. eta vs tors. theta energy: 0.255
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: 1, replica: 3
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -874.544481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.544481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.544481 (E_RNA)
where:
Base-Base interactions energy: -598.287
where: short stacking energy: -270.826
Base-Backbone interact. energy: -1.187
local terms energy: -275.069665
where:
bonds (distance) C4'-P energy: -53.249
bonds (distance) P-C4' energy: -54.129
flat angles C4'-P-C4' energy: -56.796
flat angles P-C4'-P energy: -38.678
tors. eta vs tors. theta energy: -72.217
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: 107
Temperature: 0.950000
Total energy: -900.168432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.168432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.168432 (E_RNA)
where:
Base-Base interactions energy: -627.620
where: short stacking energy: -272.697
Base-Backbone interact. energy: 1.502
local terms energy: -274.050878
where:
bonds (distance) C4'-P energy: -50.793
bonds (distance) P-C4' energy: -46.805
flat angles C4'-P-C4' energy: -59.261
flat angles P-C4'-P energy: -47.205
tors. eta vs tors. theta energy: -69.987
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: 5
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -841.100174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.100174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.100174 (E_RNA)
where:
Base-Base interactions energy: -578.101
where: short stacking energy: -244.753
Base-Backbone interact. energy: -0.023
local terms energy: -262.976576
where:
bonds (distance) C4'-P energy: -56.487
bonds (distance) P-C4' energy: -61.111
flat angles C4'-P-C4' energy: -48.570
flat angles P-C4'-P energy: -26.190
tors. eta vs tors. theta energy: -70.619
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: 4
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -815.816314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.816314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.816314 (E_RNA)
where:
Base-Base interactions energy: -562.419
where: short stacking energy: -253.178
Base-Backbone interact. energy: -0.417
local terms energy: -252.980909
where:
bonds (distance) C4'-P energy: -46.564
bonds (distance) P-C4' energy: -51.788
flat angles C4'-P-C4' energy: -54.313
flat angles P-C4'-P energy: -29.967
tors. eta vs tors. theta energy: -70.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -696.005282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.005282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.005282 (E_RNA)
where:
Base-Base interactions energy: -463.078
where: short stacking energy: -206.598
Base-Backbone interact. energy: -0.630
local terms energy: -232.297769
where:
bonds (distance) C4'-P energy: -56.083
bonds (distance) P-C4' energy: -46.452
flat angles C4'-P-C4' energy: -51.935
flat angles P-C4'-P energy: -28.258
tors. eta vs tors. theta energy: -49.571
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: 6
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -673.533796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.533796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.533796 (E_RNA)
where:
Base-Base interactions energy: -455.000
where: short stacking energy: -211.029
Base-Backbone interact. energy: -0.543
local terms energy: -217.990115
where:
bonds (distance) C4'-P energy: -46.174
bonds (distance) P-C4' energy: -40.974
flat angles C4'-P-C4' energy: -48.629
flat angles P-C4'-P energy: -32.415
tors. eta vs tors. theta energy: -49.798
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: 7, replica: 8
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -610.876535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.876535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.876535 (E_RNA)
where:
Base-Base interactions energy: -413.967
where: short stacking energy: -190.503
Base-Backbone interact. energy: -0.775
local terms energy: -196.134375
where:
bonds (distance) C4'-P energy: -46.455
bonds (distance) P-C4' energy: -43.472
flat angles C4'-P-C4' energy: -37.260
flat angles P-C4'-P energy: -25.514
tors. eta vs tors. theta energy: -43.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -589.475651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.475651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.475651 (E_RNA)
where:
Base-Base interactions energy: -375.719
where: short stacking energy: -168.319
Base-Backbone interact. energy: -1.038
local terms energy: -212.718132
where:
bonds (distance) C4'-P energy: -45.866
bonds (distance) P-C4' energy: -49.591
flat angles C4'-P-C4' energy: -46.889
flat angles P-C4'-P energy: -30.176
tors. eta vs tors. theta energy: -40.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -238.524469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.524469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.524469 (E_RNA)
where:
Base-Base interactions energy: -91.832
where: short stacking energy: -63.161
Base-Backbone interact. energy: 0.814
local terms energy: -147.506832
where:
bonds (distance) C4'-P energy: -45.566
bonds (distance) P-C4' energy: -51.036
flat angles C4'-P-C4' energy: -34.515
flat angles P-C4'-P energy: -21.882
tors. eta vs tors. theta energy: 5.493
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: 10, replica: 10
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -265.776729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.776729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.776729 (E_RNA)
where:
Base-Base interactions energy: -109.561
where: short stacking energy: -78.493
Base-Backbone interact. energy: -0.458
local terms energy: -155.758420
where:
bonds (distance) C4'-P energy: -36.113
bonds (distance) P-C4' energy: -40.722
flat angles C4'-P-C4' energy: -41.711
flat angles P-C4'-P energy: -30.685
tors. eta vs tors. theta energy: -6.527
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: 108
Temperature: 0.900000
Total energy: -921.539410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.539410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.539410 (E_RNA)
where:
Base-Base interactions energy: -646.411
where: short stacking energy: -264.448
Base-Backbone interact. energy: -1.133
local terms energy: -273.995048
where:
bonds (distance) C4'-P energy: -54.504
bonds (distance) P-C4' energy: -52.110
flat angles C4'-P-C4' energy: -56.007
flat angles P-C4'-P energy: -35.912
tors. eta vs tors. theta energy: -75.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -869.777654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.777654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.777654 (E_RNA)
where:
Base-Base interactions energy: -599.176
where: short stacking energy: -263.741
Base-Backbone interact. energy: 3.046
local terms energy: -273.648160
where:
bonds (distance) C4'-P energy: -44.411
bonds (distance) P-C4' energy: -57.562
flat angles C4'-P-C4' energy: -49.817
flat angles P-C4'-P energy: -44.517
tors. eta vs tors. theta energy: -77.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -876.304656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.304656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.304656 (E_RNA)
where:
Base-Base interactions energy: -613.301
where: short stacking energy: -240.238
Base-Backbone interact. energy: -0.161
local terms energy: -262.842670
where:
bonds (distance) C4'-P energy: -39.898
bonds (distance) P-C4' energy: -44.275
flat angles C4'-P-C4' energy: -58.784
flat angles P-C4'-P energy: -46.603
tors. eta vs tors. theta energy: -73.283
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: 4
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -820.150312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.150312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.150312 (E_RNA)
where:
Base-Base interactions energy: -562.045
where: short stacking energy: -233.836
Base-Backbone interact. energy: -2.130
local terms energy: -255.975035
where:
bonds (distance) C4'-P energy: -50.412
bonds (distance) P-C4' energy: -51.178
flat angles C4'-P-C4' energy: -57.088
flat angles P-C4'-P energy: -36.315
tors. eta vs tors. theta energy: -60.983
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: 7
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -691.953814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.953814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.953814 (E_RNA)
where:
Base-Base interactions energy: -464.490
where: short stacking energy: -195.265
Base-Backbone interact. energy: -1.438
local terms energy: -226.025118
where:
bonds (distance) C4'-P energy: -43.357
bonds (distance) P-C4' energy: -48.230
flat angles C4'-P-C4' energy: -54.933
flat angles P-C4'-P energy: -24.128
tors. eta vs tors. theta energy: -55.377
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: 6
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -669.739476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.739476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.739476 (E_RNA)
where:
Base-Base interactions energy: -442.942
where: short stacking energy: -195.614
Base-Backbone interact. energy: 1.551
local terms energy: -228.348298
where:
bonds (distance) C4'-P energy: -38.945
bonds (distance) P-C4' energy: -52.151
flat angles C4'-P-C4' energy: -59.043
flat angles P-C4'-P energy: -31.224
tors. eta vs tors. theta energy: -46.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -606.407254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.407254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.407254 (E_RNA)
where:
Base-Base interactions energy: -391.567
where: short stacking energy: -174.999
Base-Backbone interact. energy: -1.103
local terms energy: -213.737574
where:
bonds (distance) C4'-P energy: -46.898
bonds (distance) P-C4' energy: -42.529
flat angles C4'-P-C4' energy: -54.147
flat angles P-C4'-P energy: -27.642
tors. eta vs tors. theta energy: -42.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -578.631411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.631411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.631411 (E_RNA)
where:
Base-Base interactions energy: -377.362
where: short stacking energy: -157.670
Base-Backbone interact. energy: -1.785
local terms energy: -199.483801
where:
bonds (distance) C4'-P energy: -44.876
bonds (distance) P-C4' energy: -42.407
flat angles C4'-P-C4' energy: -53.305
flat angles P-C4'-P energy: -30.175
tors. eta vs tors. theta energy: -28.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -278.634661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.634661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.634661 (E_RNA)
where:
Base-Base interactions energy: -124.060
where: short stacking energy: -88.347
Base-Backbone interact. energy: 1.707
local terms energy: -156.281847
where:
bonds (distance) C4'-P energy: -46.478
bonds (distance) P-C4' energy: -47.304
flat angles C4'-P-C4' energy: -28.523
flat angles P-C4'-P energy: -30.366
tors. eta vs tors. theta energy: -3.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -230.542887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.542887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.542887 (E_RNA)
where:
Base-Base interactions energy: -90.264
where: short stacking energy: -72.229
Base-Backbone interact. energy: 0.306
local terms energy: -140.585055
where:
bonds (distance) C4'-P energy: -37.411
bonds (distance) P-C4' energy: -49.598
flat angles C4'-P-C4' energy: -40.816
flat angles P-C4'-P energy: -9.601
tors. eta vs tors. theta energy: -3.158
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: 1
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -907.811442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.811442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.811442 (E_RNA)
where:
Base-Base interactions energy: -635.172
where: short stacking energy: -282.799
Base-Backbone interact. energy: 0.459
local terms energy: -273.098814
where:
bonds (distance) C4'-P energy: -45.302
bonds (distance) P-C4' energy: -45.989
flat angles C4'-P-C4' energy: -62.531
flat angles P-C4'-P energy: -41.261
tors. eta vs tors. theta energy: -78.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -897.678207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.678207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.678207 (E_RNA)
where:
Base-Base interactions energy: -618.059
where: short stacking energy: -251.473
Base-Backbone interact. energy: -1.607
local terms energy: -278.012318
where:
bonds (distance) C4'-P energy: -50.980
bonds (distance) P-C4' energy: -55.765
flat angles C4'-P-C4' energy: -61.220
flat angles P-C4'-P energy: -41.673
tors. eta vs tors. theta energy: -68.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -864.257420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.257420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.257420 (E_RNA)
where:
Base-Base interactions energy: -603.514
where: short stacking energy: -241.812
Base-Backbone interact. energy: 1.751
local terms energy: -262.494063
where:
bonds (distance) C4'-P energy: -49.491
bonds (distance) P-C4' energy: -51.223
flat angles C4'-P-C4' energy: -61.482
flat angles P-C4'-P energy: -32.326
tors. eta vs tors. theta energy: -67.973
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: 4
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -828.716486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.716486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.716486 (E_RNA)
where:
Base-Base interactions energy: -569.539
where: short stacking energy: -254.110
Base-Backbone interact. energy: -2.068
local terms energy: -257.109615
where:
bonds (distance) C4'-P energy: -48.244
bonds (distance) P-C4' energy: -48.866
flat angles C4'-P-C4' energy: -60.678
flat angles P-C4'-P energy: -31.434
tors. eta vs tors. theta energy: -67.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -685.924966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.924966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.924966 (E_RNA)
where:
Base-Base interactions energy: -461.198
where: short stacking energy: -216.085
Base-Backbone interact. energy: -0.772
local terms energy: -223.955732
where:
bonds (distance) C4'-P energy: -37.707
bonds (distance) P-C4' energy: -50.596
flat angles C4'-P-C4' energy: -54.796
flat angles P-C4'-P energy: -29.062
tors. eta vs tors. theta energy: -51.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -672.543350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.543350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.543350 (E_RNA)
where:
Base-Base interactions energy: -457.226
where: short stacking energy: -204.911
Base-Backbone interact. energy: -0.351
local terms energy: -214.965741
where:
bonds (distance) C4'-P energy: -40.407
bonds (distance) P-C4' energy: -44.010
flat angles C4'-P-C4' energy: -44.664
flat angles P-C4'-P energy: -32.872
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: 7, replica: 8
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -571.780028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.780028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.780028 (E_RNA)
where:
Base-Base interactions energy: -386.022
where: short stacking energy: -177.937
Base-Backbone interact. energy: -1.451
local terms energy: -184.306691
where:
bonds (distance) C4'-P energy: -39.825
bonds (distance) P-C4' energy: -39.692
flat angles C4'-P-C4' energy: -45.684
flat angles P-C4'-P energy: -22.018
tors. eta vs tors. theta energy: -37.088
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: 2
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -566.837437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.837437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.837437 (E_RNA)
where:
Base-Base interactions energy: -389.119
where: short stacking energy: -158.539
Base-Backbone interact. energy: -1.582
local terms energy: -176.137305
where:
bonds (distance) C4'-P energy: -40.892
bonds (distance) P-C4' energy: -51.403
flat angles C4'-P-C4' energy: -43.898
flat angles P-C4'-P energy: -12.469
tors. eta vs tors. theta energy: -27.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -270.860386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.860386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.860386 (E_RNA)
where:
Base-Base interactions energy: -122.939
where: short stacking energy: -86.997
Base-Backbone interact. energy: 1.516
local terms energy: -149.436987
where:
bonds (distance) C4'-P energy: -35.203
bonds (distance) P-C4' energy: -42.598
flat angles C4'-P-C4' energy: -42.350
flat angles P-C4'-P energy: -21.126
tors. eta vs tors. theta energy: -8.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -222.880106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.880106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.880106 (E_RNA)
where:
Base-Base interactions energy: -66.998
where: short stacking energy: -56.876
Base-Backbone interact. energy: -0.195
local terms energy: -155.687668
where:
bonds (distance) C4'-P energy: -44.733
bonds (distance) P-C4' energy: -44.653
flat angles C4'-P-C4' energy: -36.651
flat angles P-C4'-P energy: -26.111
tors. eta vs tors. theta energy: -3.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -904.346911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.346911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.346911 (E_RNA)
where:
Base-Base interactions energy: -622.422
where: short stacking energy: -267.673
Base-Backbone interact. energy: -2.560
local terms energy: -279.365355
where:
bonds (distance) C4'-P energy: -50.500
bonds (distance) P-C4' energy: -56.791
flat angles C4'-P-C4' energy: -57.786
flat angles P-C4'-P energy: -39.600
tors. eta vs tors. theta energy: -74.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -908.164514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.164514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.164514 (E_RNA)
where:
Base-Base interactions energy: -633.909
where: short stacking energy: -269.033
Base-Backbone interact. energy: -0.598
local terms energy: -273.656867
where:
bonds (distance) C4'-P energy: -51.714
bonds (distance) P-C4' energy: -42.652
flat angles C4'-P-C4' energy: -58.701
flat angles P-C4'-P energy: -42.838
tors. eta vs tors. theta energy: -77.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -903.113437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.113437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.113437 (E_RNA)
where:
Base-Base interactions energy: -623.633
where: short stacking energy: -257.187
Base-Backbone interact. energy: -0.545
local terms energy: -278.936035
where:
bonds (distance) C4'-P energy: -52.273
bonds (distance) P-C4' energy: -56.939
flat angles C4'-P-C4' energy: -53.081
flat angles P-C4'-P energy: -46.537
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: 4, replica: 4
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -848.158942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.158942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.158942 (E_RNA)
where:
Base-Base interactions energy: -579.746
where: short stacking energy: -242.481
Base-Backbone interact. energy: 0.727
local terms energy: -269.140001
where:
bonds (distance) C4'-P energy: -55.178
bonds (distance) P-C4' energy: -47.903
flat angles C4'-P-C4' energy: -55.311
flat angles P-C4'-P energy: -39.777
tors. eta vs tors. theta energy: -70.971
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: 7
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -694.562910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.562910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.562910 (E_RNA)
where:
Base-Base interactions energy: -462.867
where: short stacking energy: -199.621
Base-Backbone interact. energy: -1.044
local terms energy: -230.652200
where:
bonds (distance) C4'-P energy: -55.530
bonds (distance) P-C4' energy: -43.229
flat angles C4'-P-C4' energy: -54.087
flat angles P-C4'-P energy: -34.361
tors. eta vs tors. theta energy: -43.444
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: 6, replica: 6
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -722.296933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.296933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.296933 (E_RNA)
where:
Base-Base interactions energy: -486.381
where: short stacking energy: -213.129
Base-Backbone interact. energy: 5.583
local terms energy: -241.498925
where:
bonds (distance) C4'-P energy: -53.545
bonds (distance) P-C4' energy: -50.784
flat angles C4'-P-C4' energy: -46.027
flat angles P-C4'-P energy: -30.552
tors. eta vs tors. theta energy: -60.591
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: 2
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -615.271798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.271798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.271798 (E_RNA)
where:
Base-Base interactions energy: -406.452
where: short stacking energy: -183.494
Base-Backbone interact. energy: -0.955
local terms energy: -207.865183
where:
bonds (distance) C4'-P energy: -40.146
bonds (distance) P-C4' energy: -50.833
flat angles C4'-P-C4' energy: -51.493
flat angles P-C4'-P energy: -29.925
tors. eta vs tors. theta energy: -35.469
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: 8
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -593.472532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.472532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.472532 (E_RNA)
where:
Base-Base interactions energy: -381.897
where: short stacking energy: -168.431
Base-Backbone interact. energy: -0.392
local terms energy: -211.182886
where:
bonds (distance) C4'-P energy: -34.768
bonds (distance) P-C4' energy: -53.026
flat angles C4'-P-C4' energy: -53.510
flat angles P-C4'-P energy: -27.470
tors. eta vs tors. theta energy: -42.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -271.488402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.488402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.488402 (E_RNA)
where:
Base-Base interactions energy: -122.934
where: short stacking energy: -66.454
Base-Backbone interact. energy: -0.974
local terms energy: -147.580822
where:
bonds (distance) C4'-P energy: -41.549
bonds (distance) P-C4' energy: -48.104
flat angles C4'-P-C4' energy: -40.691
flat angles P-C4'-P energy: -23.832
tors. eta vs tors. theta energy: 6.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -252.659737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.659737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.659737 (E_RNA)
where:
Base-Base interactions energy: -105.250
where: short stacking energy: -68.479
Base-Backbone interact. energy: 0.712
local terms energy: -148.121598
where:
bonds (distance) C4'-P energy: -46.817
bonds (distance) P-C4' energy: -42.755
flat angles C4'-P-C4' energy: -37.836
flat angles P-C4'-P energy: -34.255
tors. eta vs tors. theta energy: 13.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -902.682243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.682243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.682243 (E_RNA)
where:
Base-Base interactions energy: -641.714
where: short stacking energy: -262.982
Base-Backbone interact. energy: -1.186
local terms energy: -259.781648
where:
bonds (distance) C4'-P energy: -44.162
bonds (distance) P-C4' energy: -50.121
flat angles C4'-P-C4' energy: -57.031
flat angles P-C4'-P energy: -36.287
tors. eta vs tors. theta energy: -72.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -886.324907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.324907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.324907 (E_RNA)
where:
Base-Base interactions energy: -627.182
where: short stacking energy: -269.009
Base-Backbone interact. energy: -0.576
local terms energy: -258.566055
where:
bonds (distance) C4'-P energy: -51.123
bonds (distance) P-C4' energy: -46.573
flat angles C4'-P-C4' energy: -50.618
flat angles P-C4'-P energy: -40.427
tors. eta vs tors. theta energy: -69.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -875.176197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.176197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.176197 (E_RNA)
where:
Base-Base interactions energy: -608.981
where: short stacking energy: -258.965
Base-Backbone interact. energy: -2.008
local terms energy: -264.187315
where:
bonds (distance) C4'-P energy: -39.823
bonds (distance) P-C4' energy: -50.283
flat angles C4'-P-C4' energy: -56.209
flat angles P-C4'-P energy: -45.190
tors. eta vs tors. theta energy: -72.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -813.923023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.923023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.923023 (E_RNA)
where:
Base-Base interactions energy: -542.560
where: short stacking energy: -232.480
Base-Backbone interact. energy: -0.499
local terms energy: -270.863394
where:
bonds (distance) C4'-P energy: -48.747
bonds (distance) P-C4' energy: -58.074
flat angles C4'-P-C4' energy: -56.850
flat angles P-C4'-P energy: -42.922
tors. eta vs tors. theta energy: -64.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -709.990000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.990000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.990000 (E_RNA)
where:
Base-Base interactions energy: -468.968
where: short stacking energy: -212.183
Base-Backbone interact. energy: 1.296
local terms energy: -242.318141
where:
bonds (distance) C4'-P energy: -49.931
bonds (distance) P-C4' energy: -46.308
flat angles C4'-P-C4' energy: -53.977
flat angles P-C4'-P energy: -36.533
tors. eta vs tors. theta energy: -55.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -696.692595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.692595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.692595 (E_RNA)
where:
Base-Base interactions energy: -465.327
where: short stacking energy: -192.660
Base-Backbone interact. energy: -1.704
local terms energy: -229.661470
where:
bonds (distance) C4'-P energy: -50.775
bonds (distance) P-C4' energy: -42.183
flat angles C4'-P-C4' energy: -54.398
flat angles P-C4'-P energy: -31.222
tors. eta vs tors. theta energy: -51.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -630.770031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.770031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.770031 (E_RNA)
where:
Base-Base interactions energy: -409.143
where: short stacking energy: -179.875
Base-Backbone interact. energy: -0.869
local terms energy: -220.758192
where:
bonds (distance) C4'-P energy: -48.322
bonds (distance) P-C4' energy: -46.153
flat angles C4'-P-C4' energy: -40.427
flat angles P-C4'-P energy: -42.457
tors. eta vs tors. theta energy: -43.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -616.269164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.269164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.269164 (E_RNA)
where:
Base-Base interactions energy: -397.715
where: short stacking energy: -171.500
Base-Backbone interact. energy: -0.839
local terms energy: -217.715097
where:
bonds (distance) C4'-P energy: -39.106
bonds (distance) P-C4' energy: -42.845
flat angles C4'-P-C4' energy: -55.731
flat angles P-C4'-P energy: -32.506
tors. eta vs tors. theta energy: -47.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -320.289670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.289670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.289670 (E_RNA)
where:
Base-Base interactions energy: -150.230
where: short stacking energy: -94.332
Base-Backbone interact. energy: -0.008
local terms energy: -170.051549
where:
bonds (distance) C4'-P energy: -30.412
bonds (distance) P-C4' energy: -56.500
flat angles C4'-P-C4' energy: -44.001
flat angles P-C4'-P energy: -37.569
tors. eta vs tors. theta energy: -1.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -226.983399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.983399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.983399 (E_RNA)
where:
Base-Base interactions energy: -76.057
where: short stacking energy: -56.713
Base-Backbone interact. energy: -0.867
local terms energy: -150.058943
where:
bonds (distance) C4'-P energy: -39.290
bonds (distance) P-C4' energy: -53.285
flat angles C4'-P-C4' energy: -39.871
flat angles P-C4'-P energy: -31.172
tors. eta vs tors. theta energy: 13.559
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: 1, replica: 1
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -908.448427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.448427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.448427 (E_RNA)
where:
Base-Base interactions energy: -627.189
where: short stacking energy: -259.747
Base-Backbone interact. energy: -1.906
local terms energy: -279.353050
where:
bonds (distance) C4'-P energy: -54.667
bonds (distance) P-C4' energy: -56.081
flat angles C4'-P-C4' energy: -52.620
flat angles P-C4'-P energy: -37.047
tors. eta vs tors. theta energy: -78.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -897.104009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.104009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.104009 (E_RNA)
where:
Base-Base interactions energy: -608.815
where: short stacking energy: -253.607
Base-Backbone interact. energy: -2.728
local terms energy: -285.560680
where:
bonds (distance) C4'-P energy: -54.906
bonds (distance) P-C4' energy: -53.478
flat angles C4'-P-C4' energy: -62.649
flat angles P-C4'-P energy: -43.445
tors. eta vs tors. theta energy: -71.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -873.465380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.465380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.465380 (E_RNA)
where:
Base-Base interactions energy: -612.974
where: short stacking energy: -247.191
Base-Backbone interact. energy: 0.271
local terms energy: -260.762593
where:
bonds (distance) C4'-P energy: -47.395
bonds (distance) P-C4' energy: -46.922
flat angles C4'-P-C4' energy: -58.794
flat angles P-C4'-P energy: -31.427
tors. eta vs tors. theta energy: -76.226
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: 112
Temperature: 1.050000
Total energy: -827.401613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.401613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.401613 (E_RNA)
where:
Base-Base interactions energy: -576.745
where: short stacking energy: -236.357
Base-Backbone interact. energy: -0.678
local terms energy: -249.978475
where:
bonds (distance) C4'-P energy: -45.217
bonds (distance) P-C4' energy: -52.789
flat angles C4'-P-C4' energy: -53.484
flat angles P-C4'-P energy: -40.226
tors. eta vs tors. theta energy: -58.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -713.690984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.690984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.690984 (E_RNA)
where:
Base-Base interactions energy: -472.556
where: short stacking energy: -201.570
Base-Backbone interact. energy: -1.720
local terms energy: -239.414640
where:
bonds (distance) C4'-P energy: -47.721
bonds (distance) P-C4' energy: -47.093
flat angles C4'-P-C4' energy: -59.525
flat angles P-C4'-P energy: -34.416
tors. eta vs tors. theta energy: -50.660
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: 6, replica: 7
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -659.290993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.290993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.290993 (E_RNA)
where:
Base-Base interactions energy: -450.582
where: short stacking energy: -201.680
Base-Backbone interact. energy: -0.052
local terms energy: -208.657854
where:
bonds (distance) C4'-P energy: -40.657
bonds (distance) P-C4' energy: -49.283
flat angles C4'-P-C4' energy: -49.873
flat angles P-C4'-P energy: -27.328
tors. eta vs tors. theta energy: -41.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -582.011624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.011624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.011624 (E_RNA)
where:
Base-Base interactions energy: -363.815
where: short stacking energy: -172.993
Base-Backbone interact. energy: -1.046
local terms energy: -217.150611
where:
bonds (distance) C4'-P energy: -40.772
bonds (distance) P-C4' energy: -57.173
flat angles C4'-P-C4' energy: -50.406
flat angles P-C4'-P energy: -38.067
tors. eta vs tors. theta energy: -30.732
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: 8
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -585.086427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.086427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.086427 (E_RNA)
where:
Base-Base interactions energy: -389.504
where: short stacking energy: -176.687
Base-Backbone interact. energy: 1.565
local terms energy: -197.146822
where:
bonds (distance) C4'-P energy: -43.914
bonds (distance) P-C4' energy: -49.841
flat angles C4'-P-C4' energy: -35.532
flat angles P-C4'-P energy: -27.728
tors. eta vs tors. theta energy: -40.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -255.697366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.697366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.697366 (E_RNA)
where:
Base-Base interactions energy: -118.928
where: short stacking energy: -84.847
Base-Backbone interact. energy: 4.738
local terms energy: -141.507821
where:
bonds (distance) C4'-P energy: -42.401
bonds (distance) P-C4' energy: -42.505
flat angles C4'-P-C4' energy: -37.083
flat angles P-C4'-P energy: -19.123
tors. eta vs tors. theta energy: -0.396
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: 10
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -238.427241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.427241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.427241 (E_RNA)
where:
Base-Base interactions energy: -106.341
where: short stacking energy: -60.926
Base-Backbone interact. energy: -2.048
local terms energy: -130.038513
where:
bonds (distance) C4'-P energy: -45.217
bonds (distance) P-C4' energy: -45.470
flat angles C4'-P-C4' energy: -29.024
flat angles P-C4'-P energy: -16.264
tors. eta vs tors. theta energy: 5.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -901.837608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.837608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.837608 (E_RNA)
where:
Base-Base interactions energy: -641.432
where: short stacking energy: -274.570
Base-Backbone interact. energy: -0.969
local terms energy: -259.436081
where:
bonds (distance) C4'-P energy: -49.786
bonds (distance) P-C4' energy: -51.377
flat angles C4'-P-C4' energy: -49.406
flat angles P-C4'-P energy: -34.395
tors. eta vs tors. theta energy: -74.472
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: 5
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -891.027690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.027690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.027690 (E_RNA)
where:
Base-Base interactions energy: -627.373
where: short stacking energy: -257.551
Base-Backbone interact. energy: -1.128
local terms energy: -262.527070
where:
bonds (distance) C4'-P energy: -41.940
bonds (distance) P-C4' energy: -49.391
flat angles C4'-P-C4' energy: -62.044
flat angles P-C4'-P energy: -40.920
tors. eta vs tors. theta energy: -68.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -879.510168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.510168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.510168 (E_RNA)
where:
Base-Base interactions energy: -611.157
where: short stacking energy: -260.274
Base-Backbone interact. energy: -1.013
local terms energy: -267.339776
where:
bonds (distance) C4'-P energy: -47.479
bonds (distance) P-C4' energy: -51.230
flat angles C4'-P-C4' energy: -56.923
flat angles P-C4'-P energy: -38.472
tors. eta vs tors. theta energy: -73.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -821.124180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.124180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.124180 (E_RNA)
where:
Base-Base interactions energy: -561.887
where: short stacking energy: -251.387
Base-Backbone interact. energy: 2.996
local terms energy: -262.233609
where:
bonds (distance) C4'-P energy: -46.888
bonds (distance) P-C4' energy: -56.230
flat angles C4'-P-C4' energy: -57.058
flat angles P-C4'-P energy: -40.766
tors. eta vs tors. theta energy: -61.291
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: 6
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -760.233155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.233155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.233155 (E_RNA)
where:
Base-Base interactions energy: -504.643
where: short stacking energy: -232.246
Base-Backbone interact. energy: 0.512
local terms energy: -256.102396
where:
bonds (distance) C4'-P energy: -53.174
bonds (distance) P-C4' energy: -53.071
flat angles C4'-P-C4' energy: -53.937
flat angles P-C4'-P energy: -35.400
tors. eta vs tors. theta energy: -60.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -684.810904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.810904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.810904 (E_RNA)
where:
Base-Base interactions energy: -459.280
where: short stacking energy: -209.729
Base-Backbone interact. energy: 0.473
local terms energy: -226.004060
where:
bonds (distance) C4'-P energy: -49.157
bonds (distance) P-C4' energy: -52.333
flat angles C4'-P-C4' energy: -56.459
flat angles P-C4'-P energy: -18.692
tors. eta vs tors. theta energy: -49.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -597.108824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.108824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.108824 (E_RNA)
where:
Base-Base interactions energy: -383.136
where: short stacking energy: -173.405
Base-Backbone interact. energy: -0.286
local terms energy: -213.686476
where:
bonds (distance) C4'-P energy: -45.326
bonds (distance) P-C4' energy: -42.615
flat angles C4'-P-C4' energy: -43.447
flat angles P-C4'-P energy: -39.693
tors. eta vs tors. theta energy: -42.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -570.231333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.231333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.231333 (E_RNA)
where:
Base-Base interactions energy: -367.647
where: short stacking energy: -167.669
Base-Backbone interact. energy: -0.806
local terms energy: -201.778534
where:
bonds (distance) C4'-P energy: -48.706
bonds (distance) P-C4' energy: -47.317
flat angles C4'-P-C4' energy: -41.998
flat angles P-C4'-P energy: -31.206
tors. eta vs tors. theta energy: -32.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -238.996095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.996095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.996095 (E_RNA)
where:
Base-Base interactions energy: -93.069
where: short stacking energy: -73.544
Base-Backbone interact. energy: -0.004
local terms energy: -145.923471
where:
bonds (distance) C4'-P energy: -49.255
bonds (distance) P-C4' energy: -45.182
flat angles C4'-P-C4' energy: -35.450
flat angles P-C4'-P energy: -16.859
tors. eta vs tors. theta energy: 0.823
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: 10, replica: 10
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -229.265115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.265115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.265115 (E_RNA)
where:
Base-Base interactions energy: -85.645
where: short stacking energy: -74.903
Base-Backbone interact. energy: 2.978
local terms energy: -146.597426
where:
bonds (distance) C4'-P energy: -32.131
bonds (distance) P-C4' energy: -45.641
flat angles C4'-P-C4' energy: -37.266
flat angles P-C4'-P energy: -23.496
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: 1
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -904.609532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.609532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.609532 (E_RNA)
where:
Base-Base interactions energy: -621.087
where: short stacking energy: -254.486
Base-Backbone interact. energy: -0.486
local terms energy: -283.036047
where:
bonds (distance) C4'-P energy: -50.230
bonds (distance) P-C4' energy: -59.254
flat angles C4'-P-C4' energy: -65.962
flat angles P-C4'-P energy: -43.579
tors. eta vs tors. theta energy: -64.011
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: 5
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -912.175587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.175587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.175587 (E_RNA)
where:
Base-Base interactions energy: -637.564
where: short stacking energy: -284.813
Base-Backbone interact. energy: 0.900
local terms energy: -275.511496
where:
bonds (distance) C4'-P energy: -49.864
bonds (distance) P-C4' energy: -52.190
flat angles C4'-P-C4' energy: -57.260
flat angles P-C4'-P energy: -39.802
tors. eta vs tors. theta energy: -76.395
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: 3
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -858.760053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.760053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.760053 (E_RNA)
where:
Base-Base interactions energy: -604.473
where: short stacking energy: -243.680
Base-Backbone interact. energy: -1.855
local terms energy: -252.432488
where:
bonds (distance) C4'-P energy: -42.157
bonds (distance) P-C4' energy: -53.059
flat angles C4'-P-C4' energy: -53.339
flat angles P-C4'-P energy: -38.113
tors. eta vs tors. theta energy: -65.764
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: 4, replica: 4
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -801.312788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.312788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.312788 (E_RNA)
where:
Base-Base interactions energy: -555.598
where: short stacking energy: -240.873
Base-Backbone interact. energy: 0.491
local terms energy: -246.206490
where:
bonds (distance) C4'-P energy: -48.276
bonds (distance) P-C4' energy: -43.599
flat angles C4'-P-C4' energy: -58.112
flat angles P-C4'-P energy: -34.361
tors. eta vs tors. theta energy: -61.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -716.235887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.235887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.235887 (E_RNA)
where:
Base-Base interactions energy: -487.269
where: short stacking energy: -204.904
Base-Backbone interact. energy: -2.223
local terms energy: -226.743280
where:
bonds (distance) C4'-P energy: -40.724
bonds (distance) P-C4' energy: -43.203
flat angles C4'-P-C4' energy: -52.744
flat angles P-C4'-P energy: -32.592
tors. eta vs tors. theta energy: -57.480
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: 7
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -694.205365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.205365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.205365 (E_RNA)
where:
Base-Base interactions energy: -464.291
where: short stacking energy: -197.309
Base-Backbone interact. energy: -1.146
local terms energy: -228.768906
where:
bonds (distance) C4'-P energy: -47.860
bonds (distance) P-C4' energy: -55.891
flat angles C4'-P-C4' energy: -49.851
flat angles P-C4'-P energy: -32.769
tors. eta vs tors. theta energy: -42.397
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: 7, replica: 2
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -606.807028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.807028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.807028 (E_RNA)
where:
Base-Base interactions energy: -385.035
where: short stacking energy: -176.772
Base-Backbone interact. energy: 0.198
local terms energy: -221.969731
where:
bonds (distance) C4'-P energy: -53.715
bonds (distance) P-C4' energy: -47.532
flat angles C4'-P-C4' energy: -45.773
flat angles P-C4'-P energy: -29.959
tors. eta vs tors. theta energy: -44.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -554.789956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.789956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.789956 (E_RNA)
where:
Base-Base interactions energy: -367.136
where: short stacking energy: -133.335
Base-Backbone interact. energy: -0.568
local terms energy: -187.085278
where:
bonds (distance) C4'-P energy: -47.745
bonds (distance) P-C4' energy: -38.406
flat angles C4'-P-C4' energy: -46.875
flat angles P-C4'-P energy: -28.663
tors. eta vs tors. theta energy: -25.397
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: 9
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -246.166344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.166344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.166344 (E_RNA)
where:
Base-Base interactions energy: -83.811
where: short stacking energy: -82.905
Base-Backbone interact. energy: 0.236
local terms energy: -162.591271
where:
bonds (distance) C4'-P energy: -45.726
bonds (distance) P-C4' energy: -53.004
flat angles C4'-P-C4' energy: -38.948
flat angles P-C4'-P energy: -22.556
tors. eta vs tors. theta energy: -2.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -226.621889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.621889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.621889 (E_RNA)
where:
Base-Base interactions energy: -77.789
where: short stacking energy: -70.523
Base-Backbone interact. energy: -1.597
local terms energy: -147.236329
where:
bonds (distance) C4'-P energy: -44.952
bonds (distance) P-C4' energy: -41.285
flat angles C4'-P-C4' energy: -38.853
flat angles P-C4'-P energy: -22.008
tors. eta vs tors. theta energy: -0.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -910.343670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.343670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.343670 (E_RNA)
where:
Base-Base interactions energy: -624.239
where: short stacking energy: -264.321
Base-Backbone interact. energy: -0.287
local terms energy: -285.818238
where:
bonds (distance) C4'-P energy: -49.351
bonds (distance) P-C4' energy: -57.605
flat angles C4'-P-C4' energy: -63.932
flat angles P-C4'-P energy: -41.102
tors. eta vs tors. theta energy: -73.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -907.095523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.095523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.095523 (E_RNA)
where:
Base-Base interactions energy: -629.188
where: short stacking energy: -270.739
Base-Backbone interact. energy: -0.626
local terms energy: -277.281394
where:
bonds (distance) C4'-P energy: -49.311
bonds (distance) P-C4' energy: -57.179
flat angles C4'-P-C4' energy: -57.923
flat angles P-C4'-P energy: -33.991
tors. eta vs tors. theta energy: -78.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -860.854102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.854102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.854102 (E_RNA)
where:
Base-Base interactions energy: -614.278
where: short stacking energy: -252.360
Base-Backbone interact. energy: -0.988
local terms energy: -245.587842
where:
bonds (distance) C4'-P energy: -49.889
bonds (distance) P-C4' energy: -40.491
flat angles C4'-P-C4' energy: -53.865
flat angles P-C4'-P energy: -35.256
tors. eta vs tors. theta energy: -66.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -806.203046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.203046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.203046 (E_RNA)
where:
Base-Base interactions energy: -545.901
where: short stacking energy: -236.482
Base-Backbone interact. energy: -1.499
local terms energy: -258.803090
where:
bonds (distance) C4'-P energy: -44.196
bonds (distance) P-C4' energy: -53.622
flat angles C4'-P-C4' energy: -57.970
flat angles P-C4'-P energy: -36.978
tors. eta vs tors. theta energy: -66.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -783.875141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.875141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.875141 (E_RNA)
where:
Base-Base interactions energy: -549.001
where: short stacking energy: -234.966
Base-Backbone interact. energy: -1.143
local terms energy: -233.731907
where:
bonds (distance) C4'-P energy: -45.842
bonds (distance) P-C4' energy: -45.043
flat angles C4'-P-C4' energy: -54.455
flat angles P-C4'-P energy: -31.183
tors. eta vs tors. theta energy: -57.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -671.773316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.773316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.773316 (E_RNA)
where:
Base-Base interactions energy: -447.603
where: short stacking energy: -189.433
Base-Backbone interact. energy: -0.587
local terms energy: -223.583102
where:
bonds (distance) C4'-P energy: -54.682
bonds (distance) P-C4' energy: -41.403
flat angles C4'-P-C4' energy: -55.049
flat angles P-C4'-P energy: -34.734
tors. eta vs tors. theta energy: -37.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -605.681705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.681705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.681705 (E_RNA)
where:
Base-Base interactions energy: -400.137
where: short stacking energy: -178.872
Base-Backbone interact. energy: -0.783
local terms energy: -204.761790
where:
bonds (distance) C4'-P energy: -34.404
bonds (distance) P-C4' energy: -53.608
flat angles C4'-P-C4' energy: -48.582
flat angles P-C4'-P energy: -29.103
tors. eta vs tors. theta energy: -39.064
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: 8
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -569.482461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.482461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.482461 (E_RNA)
where:
Base-Base interactions energy: -354.813
where: short stacking energy: -156.455
Base-Backbone interact. energy: -0.641
local terms energy: -214.029007
where:
bonds (distance) C4'-P energy: -50.451
bonds (distance) P-C4' energy: -47.601
flat angles C4'-P-C4' energy: -51.079
flat angles P-C4'-P energy: -30.073
tors. eta vs tors. theta energy: -34.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -257.979366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.979366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.979366 (E_RNA)
where:
Base-Base interactions energy: -114.400
where: short stacking energy: -94.140
Base-Backbone interact. energy: -0.407
local terms energy: -143.172292
where:
bonds (distance) C4'-P energy: -40.387
bonds (distance) P-C4' energy: -42.760
flat angles C4'-P-C4' energy: -37.001
flat angles P-C4'-P energy: -17.653
tors. eta vs tors. theta energy: -5.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -296.023817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.023817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.023817 (E_RNA)
where:
Base-Base interactions energy: -127.563
where: short stacking energy: -75.789
Base-Backbone interact. energy: -0.335
local terms energy: -168.125473
where:
bonds (distance) C4'-P energy: -46.785
bonds (distance) P-C4' energy: -43.677
flat angles C4'-P-C4' energy: -44.235
flat angles P-C4'-P energy: -33.403
tors. eta vs tors. theta energy: -0.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -928.105091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.105091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.105091 (E_RNA)
where:
Base-Base interactions energy: -657.238
where: short stacking energy: -276.004
Base-Backbone interact. energy: -2.475
local terms energy: -268.391565
where:
bonds (distance) C4'-P energy: -54.414
bonds (distance) P-C4' energy: -53.743
flat angles C4'-P-C4' energy: -56.224
flat angles P-C4'-P energy: -38.682
tors. eta vs tors. theta energy: -65.329
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: 2, replica: 5
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -895.586898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.586898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.586898 (E_RNA)
where:
Base-Base interactions energy: -621.864
where: short stacking energy: -264.944
Base-Backbone interact. energy: -2.143
local terms energy: -271.579684
where:
bonds (distance) C4'-P energy: -52.578
bonds (distance) P-C4' energy: -51.779
flat angles C4'-P-C4' energy: -50.771
flat angles P-C4'-P energy: -41.570
tors. eta vs tors. theta energy: -74.881
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: 4
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -862.763655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.763655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.763655 (E_RNA)
where:
Base-Base interactions energy: -585.792
where: short stacking energy: -268.501
Base-Backbone interact. energy: -3.191
local terms energy: -273.780316
where:
bonds (distance) C4'-P energy: -57.549
bonds (distance) P-C4' energy: -51.554
flat angles C4'-P-C4' energy: -55.984
flat angles P-C4'-P energy: -35.635
tors. eta vs tors. theta energy: -73.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -837.915315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.915315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.915315 (E_RNA)
where:
Base-Base interactions energy: -588.690
where: short stacking energy: -246.668
Base-Backbone interact. energy: -2.085
local terms energy: -247.140459
where:
bonds (distance) C4'-P energy: -43.108
bonds (distance) P-C4' energy: -44.730
flat angles C4'-P-C4' energy: -56.967
flat angles P-C4'-P energy: -38.460
tors. eta vs tors. theta energy: -63.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -789.259372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.259372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.259372 (E_RNA)
where:
Base-Base interactions energy: -548.790
where: short stacking energy: -220.054
Base-Backbone interact. energy: -1.270
local terms energy: -239.199234
where:
bonds (distance) C4'-P energy: -52.497
bonds (distance) P-C4' energy: -47.851
flat angles C4'-P-C4' energy: -49.978
flat angles P-C4'-P energy: -35.545
tors. eta vs tors. theta energy: -53.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -672.135175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.135175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.135175 (E_RNA)
where:
Base-Base interactions energy: -450.899
where: short stacking energy: -190.850
Base-Backbone interact. energy: -0.548
local terms energy: -220.687945
where:
bonds (distance) C4'-P energy: -42.272
bonds (distance) P-C4' energy: -44.384
flat angles C4'-P-C4' energy: -47.861
flat angles P-C4'-P energy: -31.987
tors. eta vs tors. theta energy: -54.185
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: 2
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -586.454966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.454966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.454966 (E_RNA)
where:
Base-Base interactions energy: -386.151
where: short stacking energy: -169.088
Base-Backbone interact. energy: 0.538
local terms energy: -200.841953
where:
bonds (distance) C4'-P energy: -41.287
bonds (distance) P-C4' energy: -42.005
flat angles C4'-P-C4' energy: -53.699
flat angles P-C4'-P energy: -28.014
tors. eta vs tors. theta energy: -35.836
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: 8
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -570.626846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.626846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.626846 (E_RNA)
where:
Base-Base interactions energy: -376.429
where: short stacking energy: -150.862
Base-Backbone interact. energy: -1.978
local terms energy: -192.220077
where:
bonds (distance) C4'-P energy: -32.248
bonds (distance) P-C4' energy: -50.699
flat angles C4'-P-C4' energy: -45.943
flat angles P-C4'-P energy: -28.282
tors. eta vs tors. theta energy: -35.048
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: 9, replica: 10
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -264.843238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.843238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.843238 (E_RNA)
where:
Base-Base interactions energy: -138.580
where: short stacking energy: -77.231
Base-Backbone interact. energy: -0.572
local terms energy: -125.691431
where:
bonds (distance) C4'-P energy: -37.815
bonds (distance) P-C4' energy: -38.580
flat angles C4'-P-C4' energy: -40.958
flat angles P-C4'-P energy: -14.011
tors. eta vs tors. theta energy: 5.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -272.864623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.864623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.864623 (E_RNA)
where:
Base-Base interactions energy: -122.610
where: short stacking energy: -81.981
Base-Backbone interact. energy: -1.189
local terms energy: -149.066210
where:
bonds (distance) C4'-P energy: -40.697
bonds (distance) P-C4' energy: -45.964
flat angles C4'-P-C4' energy: -42.186
flat angles P-C4'-P energy: -23.806
tors. eta vs tors. theta energy: 3.587
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: 117
Temperature: 0.900000
Total energy: -935.357102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.357102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.357102 (E_RNA)
where:
Base-Base interactions energy: -648.251
where: short stacking energy: -276.623
Base-Backbone interact. energy: 0.637
local terms energy: -287.742768
where:
bonds (distance) C4'-P energy: -54.787
bonds (distance) P-C4' energy: -55.442
flat angles C4'-P-C4' energy: -60.271
flat angles P-C4'-P energy: -42.440
tors. eta vs tors. theta energy: -74.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -902.115808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.115808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.115808 (E_RNA)
where:
Base-Base interactions energy: -626.062
where: short stacking energy: -260.673
Base-Backbone interact. energy: 1.201
local terms energy: -277.254792
where:
bonds (distance) C4'-P energy: -57.014
bonds (distance) P-C4' energy: -51.885
flat angles C4'-P-C4' energy: -58.046
flat angles P-C4'-P energy: -38.889
tors. eta vs tors. theta energy: -71.420
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: 4
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -858.492975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.492975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.492975 (E_RNA)
where:
Base-Base interactions energy: -584.204
where: short stacking energy: -265.343
Base-Backbone interact. energy: -3.278
local terms energy: -271.011307
where:
bonds (distance) C4'-P energy: -43.278
bonds (distance) P-C4' energy: -55.193
flat angles C4'-P-C4' energy: -57.228
flat angles P-C4'-P energy: -41.574
tors. eta vs tors. theta energy: -73.739
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: 3
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -835.671346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.671346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.671346 (E_RNA)
where:
Base-Base interactions energy: -585.731
where: short stacking energy: -242.779
Base-Backbone interact. energy: -1.644
local terms energy: -248.297148
where:
bonds (distance) C4'-P energy: -45.419
bonds (distance) P-C4' energy: -47.711
flat angles C4'-P-C4' energy: -56.368
flat angles P-C4'-P energy: -36.283
tors. eta vs tors. theta energy: -62.516
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: 117
Temperature: 1.100000
Total energy: -780.149346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.149346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.149346 (E_RNA)
where:
Base-Base interactions energy: -527.044
where: short stacking energy: -232.565
Base-Backbone interact. energy: -1.131
local terms energy: -251.974258
where:
bonds (distance) C4'-P energy: -54.232
bonds (distance) P-C4' energy: -50.285
flat angles C4'-P-C4' energy: -45.753
flat angles P-C4'-P energy: -39.351
tors. eta vs tors. theta energy: -62.352
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: 7
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -681.679463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.679463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.679463 (E_RNA)
where:
Base-Base interactions energy: -456.961
where: short stacking energy: -193.979
Base-Backbone interact. energy: -2.487
local terms energy: -222.231837
where:
bonds (distance) C4'-P energy: -46.227
bonds (distance) P-C4' energy: -54.485
flat angles C4'-P-C4' energy: -46.883
flat angles P-C4'-P energy: -28.914
tors. eta vs tors. theta energy: -45.724
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: 2
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -604.569358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.569358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.569358 (E_RNA)
where:
Base-Base interactions energy: -390.555
where: short stacking energy: -177.373
Base-Backbone interact. energy: -2.034
local terms energy: -211.979812
where:
bonds (distance) C4'-P energy: -48.672
bonds (distance) P-C4' energy: -51.459
flat angles C4'-P-C4' energy: -43.363
flat angles P-C4'-P energy: -25.135
tors. eta vs tors. theta energy: -43.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -562.757840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.757840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.757840 (E_RNA)
where:
Base-Base interactions energy: -368.937
where: short stacking energy: -165.682
Base-Backbone interact. energy: 2.522
local terms energy: -196.342568
where:
bonds (distance) C4'-P energy: -44.709
bonds (distance) P-C4' energy: -43.846
flat angles C4'-P-C4' energy: -43.402
flat angles P-C4'-P energy: -37.586
tors. eta vs tors. theta energy: -26.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -268.044992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.044992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.044992 (E_RNA)
where:
Base-Base interactions energy: -105.026
where: short stacking energy: -78.674
Base-Backbone interact. energy: -1.708
local terms energy: -161.311321
where:
bonds (distance) C4'-P energy: -46.973
bonds (distance) P-C4' energy: -45.907
flat angles C4'-P-C4' energy: -49.423
flat angles P-C4'-P energy: -25.247
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: 10, replica: 9
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -296.884420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.884420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.884420 (E_RNA)
where:
Base-Base interactions energy: -152.472
where: short stacking energy: -103.339
Base-Backbone interact. energy: -1.398
local terms energy: -143.014833
where:
bonds (distance) C4'-P energy: -47.024
bonds (distance) P-C4' energy: -46.011
flat angles C4'-P-C4' energy: -24.944
flat angles P-C4'-P energy: -24.489
tors. eta vs tors. theta energy: -0.548
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: 1, replica: 5
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -942.377768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.377768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.377768 (E_RNA)
where:
Base-Base interactions energy: -658.621
where: short stacking energy: -283.083
Base-Backbone interact. energy: 0.225
local terms energy: -283.981138
where:
bonds (distance) C4'-P energy: -47.156
bonds (distance) P-C4' energy: -57.512
flat angles C4'-P-C4' energy: -58.217
flat angles P-C4'-P energy: -42.395
tors. eta vs tors. theta energy: -78.700
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: 1
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -894.028056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.028056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.028056 (E_RNA)
where:
Base-Base interactions energy: -606.441
where: short stacking energy: -249.875
Base-Backbone interact. energy: -1.481
local terms energy: -286.106373
where:
bonds (distance) C4'-P energy: -48.905
bonds (distance) P-C4' energy: -59.162
flat angles C4'-P-C4' energy: -61.167
flat angles P-C4'-P energy: -40.524
tors. eta vs tors. theta energy: -76.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -841.886784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.886784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.886784 (E_RNA)
where:
Base-Base interactions energy: -571.971
where: short stacking energy: -242.776
Base-Backbone interact. energy: -0.975
local terms energy: -268.940338
where:
bonds (distance) C4'-P energy: -47.198
bonds (distance) P-C4' energy: -57.312
flat angles C4'-P-C4' energy: -51.934
flat angles P-C4'-P energy: -40.850
tors. eta vs tors. theta energy: -71.647
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: 4, replica: 4
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -835.037960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.037960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.037960 (E_RNA)
where:
Base-Base interactions energy: -589.668
where: short stacking energy: -251.396
Base-Backbone interact. energy: 0.761
local terms energy: -246.131548
where:
bonds (distance) C4'-P energy: -47.152
bonds (distance) P-C4' energy: -46.499
flat angles C4'-P-C4' energy: -52.014
flat angles P-C4'-P energy: -33.240
tors. eta vs tors. theta energy: -67.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -753.176327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.176327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.176327 (E_RNA)
where:
Base-Base interactions energy: -521.522
where: short stacking energy: -220.227
Base-Backbone interact. energy: -1.172
local terms energy: -230.482411
where:
bonds (distance) C4'-P energy: -47.824
bonds (distance) P-C4' energy: -48.968
flat angles C4'-P-C4' energy: -48.515
flat angles P-C4'-P energy: -27.063
tors. eta vs tors. theta energy: -58.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -692.374962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.374962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.374962 (E_RNA)
where:
Base-Base interactions energy: -483.830
where: short stacking energy: -203.805
Base-Backbone interact. energy: -0.428
local terms energy: -208.116148
where:
bonds (distance) C4'-P energy: -38.555
bonds (distance) P-C4' energy: -39.247
flat angles C4'-P-C4' energy: -46.211
flat angles P-C4'-P energy: -33.367
tors. eta vs tors. theta energy: -50.736
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: 2
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -597.056066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.056066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.056066 (E_RNA)
where:
Base-Base interactions energy: -395.057
where: short stacking energy: -170.960
Base-Backbone interact. energy: -1.760
local terms energy: -200.238993
where:
bonds (distance) C4'-P energy: -36.794
bonds (distance) P-C4' energy: -43.859
flat angles C4'-P-C4' energy: -51.643
flat angles P-C4'-P energy: -30.161
tors. eta vs tors. theta energy: -37.783
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: 8
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -585.826202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.826202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.826202 (E_RNA)
where:
Base-Base interactions energy: -377.799
where: short stacking energy: -163.520
Base-Backbone interact. energy: -1.176
local terms energy: -206.851117
where:
bonds (distance) C4'-P energy: -46.195
bonds (distance) P-C4' energy: -44.156
flat angles C4'-P-C4' energy: -41.780
flat angles P-C4'-P energy: -35.681
tors. eta vs tors. theta energy: -39.038
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: 9
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -324.256336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.256336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.256336 (E_RNA)
where:
Base-Base interactions energy: -172.018
where: short stacking energy: -94.460
Base-Backbone interact. energy: -1.306
local terms energy: -150.932881
where:
bonds (distance) C4'-P energy: -45.312
bonds (distance) P-C4' energy: -40.915
flat angles C4'-P-C4' energy: -33.996
flat angles P-C4'-P energy: -24.556
tors. eta vs tors. theta energy: -6.154
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: 10
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -215.386949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.386949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.386949 (E_RNA)
where:
Base-Base interactions energy: -76.170
where: short stacking energy: -64.092
Base-Backbone interact. energy: 4.974
local terms energy: -144.191697
where:
bonds (distance) C4'-P energy: -42.485
bonds (distance) P-C4' energy: -45.504
flat angles C4'-P-C4' energy: -44.014
flat angles P-C4'-P energy: -19.693
tors. eta vs tors. theta energy: 7.504
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: 5
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -961.363683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.363683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.363683 (E_RNA)
where:
Base-Base interactions energy: -663.879
where: short stacking energy: -287.234
Base-Backbone interact. energy: -0.317
local terms energy: -297.168006
where:
bonds (distance) C4'-P energy: -54.582
bonds (distance) P-C4' energy: -57.444
flat angles C4'-P-C4' energy: -60.529
flat angles P-C4'-P energy: -46.698
tors. eta vs tors. theta energy: -77.916
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: 1
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -902.488772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.488772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.488772 (E_RNA)
where:
Base-Base interactions energy: -638.857
where: short stacking energy: -265.684
Base-Backbone interact. energy: -1.757
local terms energy: -261.873896
where:
bonds (distance) C4'-P energy: -56.889
bonds (distance) P-C4' energy: -55.210
flat angles C4'-P-C4' energy: -48.519
flat angles P-C4'-P energy: -29.823
tors. eta vs tors. theta energy: -71.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -879.155014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.155014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.155014 (E_RNA)
where:
Base-Base interactions energy: -616.707
where: short stacking energy: -258.800
Base-Backbone interact. energy: -1.216
local terms energy: -261.231514
where:
bonds (distance) C4'-P energy: -42.983
bonds (distance) P-C4' energy: -58.037
flat angles C4'-P-C4' energy: -60.335
flat angles P-C4'-P energy: -35.725
tors. eta vs tors. theta energy: -64.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -842.352396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.352396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.352396 (E_RNA)
where:
Base-Base interactions energy: -581.662
where: short stacking energy: -243.843
Base-Backbone interact. energy: 0.858
local terms energy: -261.548141
where:
bonds (distance) C4'-P energy: -48.102
bonds (distance) P-C4' energy: -44.568
flat angles C4'-P-C4' energy: -57.589
flat angles P-C4'-P energy: -43.376
tors. eta vs tors. theta energy: -67.913
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: 6
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -762.424383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.424383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.424383 (E_RNA)
where:
Base-Base interactions energy: -508.497
where: short stacking energy: -226.380
Base-Backbone interact. energy: -0.625
local terms energy: -253.301947
where:
bonds (distance) C4'-P energy: -47.791
bonds (distance) P-C4' energy: -51.086
flat angles C4'-P-C4' energy: -56.335
flat angles P-C4'-P energy: -38.581
tors. eta vs tors. theta energy: -59.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -679.320988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.320988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.320988 (E_RNA)
where:
Base-Base interactions energy: -428.183
where: short stacking energy: -189.625
Base-Backbone interact. energy: -0.726
local terms energy: -250.411809
where:
bonds (distance) C4'-P energy: -41.241
bonds (distance) P-C4' energy: -52.095
flat angles C4'-P-C4' energy: -60.988
flat angles P-C4'-P energy: -38.838
tors. eta vs tors. theta energy: -57.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -636.155938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.155938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.155938 (E_RNA)
where:
Base-Base interactions energy: -425.662
where: short stacking energy: -182.617
Base-Backbone interact. energy: 0.446
local terms energy: -210.939474
where:
bonds (distance) C4'-P energy: -47.637
bonds (distance) P-C4' energy: -49.435
flat angles C4'-P-C4' energy: -44.615
flat angles P-C4'-P energy: -28.052
tors. eta vs tors. theta energy: -41.200
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: 8
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -605.348134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.348134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.348134 (E_RNA)
where:
Base-Base interactions energy: -413.090
where: short stacking energy: -171.500
Base-Backbone interact. energy: 0.256
local terms energy: -192.514185
where:
bonds (distance) C4'-P energy: -41.547
bonds (distance) P-C4' energy: -46.271
flat angles C4'-P-C4' energy: -48.658
flat angles P-C4'-P energy: -21.151
tors. eta vs tors. theta energy: -34.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -303.245004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.245004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.245004 (E_RNA)
where:
Base-Base interactions energy: -171.901
where: short stacking energy: -104.806
Base-Backbone interact. energy: -0.120
local terms energy: -131.224631
where:
bonds (distance) C4'-P energy: -36.426
bonds (distance) P-C4' energy: -35.332
flat angles C4'-P-C4' energy: -23.025
flat angles P-C4'-P energy: -19.970
tors. eta vs tors. theta energy: -16.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -216.061316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.061316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.061316 (E_RNA)
where:
Base-Base interactions energy: -78.547
where: short stacking energy: -66.571
Base-Backbone interact. energy: -1.635
local terms energy: -135.879947
where:
bonds (distance) C4'-P energy: -39.251
bonds (distance) P-C4' energy: -43.340
flat angles C4'-P-C4' energy: -43.974
flat angles P-C4'-P energy: -4.308
tors. eta vs tors. theta energy: -5.007
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: 1, replica: 5
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -932.350214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.350214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.350214 (E_RNA)
where:
Base-Base interactions energy: -653.333
where: short stacking energy: -275.699
Base-Backbone interact. energy: -2.537
local terms energy: -276.479451
where:
bonds (distance) C4'-P energy: -53.347
bonds (distance) P-C4' energy: -50.554
flat angles C4'-P-C4' energy: -63.539
flat angles P-C4'-P energy: -36.996
tors. eta vs tors. theta energy: -72.043
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: 1
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -910.554487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.554487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.554487 (E_RNA)
where:
Base-Base interactions energy: -639.772
where: short stacking energy: -269.459
Base-Backbone interact. energy: -0.056
local terms energy: -270.726149
where:
bonds (distance) C4'-P energy: -59.827
bonds (distance) P-C4' energy: -48.309
flat angles C4'-P-C4' energy: -56.616
flat angles P-C4'-P energy: -35.245
tors. eta vs tors. theta energy: -70.729
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: 3, replica: 4
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -853.841358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.841358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.841358 (E_RNA)
where:
Base-Base interactions energy: -590.338
where: short stacking energy: -245.285
Base-Backbone interact. energy: -1.207
local terms energy: -262.295450
where:
bonds (distance) C4'-P energy: -49.468
bonds (distance) P-C4' energy: -49.772
flat angles C4'-P-C4' energy: -56.822
flat angles P-C4'-P energy: -40.170
tors. eta vs tors. theta energy: -66.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -852.111540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.111540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.111540 (E_RNA)
where:
Base-Base interactions energy: -595.945
where: short stacking energy: -262.877
Base-Backbone interact. energy: 2.421
local terms energy: -258.587968
where:
bonds (distance) C4'-P energy: -49.047
bonds (distance) P-C4' energy: -53.401
flat angles C4'-P-C4' energy: -57.836
flat angles P-C4'-P energy: -31.050
tors. eta vs tors. theta energy: -67.255
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: 6
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -732.014167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.014167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.014167 (E_RNA)
where:
Base-Base interactions energy: -492.862
where: short stacking energy: -208.220
Base-Backbone interact. energy: -0.057
local terms energy: -239.095700
where:
bonds (distance) C4'-P energy: -47.390
bonds (distance) P-C4' energy: -53.117
flat angles C4'-P-C4' energy: -43.982
flat angles P-C4'-P energy: -41.703
tors. eta vs tors. theta energy: -52.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -698.905852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.905852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.905852 (E_RNA)
where:
Base-Base interactions energy: -466.059
where: short stacking energy: -202.961
Base-Backbone interact. energy: -1.571
local terms energy: -231.276121
where:
bonds (distance) C4'-P energy: -49.841
bonds (distance) P-C4' energy: -44.683
flat angles C4'-P-C4' energy: -51.200
flat angles P-C4'-P energy: -39.072
tors. eta vs tors. theta energy: -46.480
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: 8
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -655.335444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.335444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.335444 (E_RNA)
where:
Base-Base interactions energy: -428.715
where: short stacking energy: -174.940
Base-Backbone interact. energy: 1.153
local terms energy: -227.773391
where:
bonds (distance) C4'-P energy: -46.169
bonds (distance) P-C4' energy: -46.214
flat angles C4'-P-C4' energy: -49.824
flat angles P-C4'-P energy: -34.620
tors. eta vs tors. theta energy: -50.947
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: 8, replica: 2
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -643.972279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.972279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.972279 (E_RNA)
where:
Base-Base interactions energy: -420.891
where: short stacking energy: -187.972
Base-Backbone interact. energy: -1.459
local terms energy: -221.621772
where:
bonds (distance) C4'-P energy: -48.126
bonds (distance) P-C4' energy: -45.505
flat angles C4'-P-C4' energy: -47.281
flat angles P-C4'-P energy: -36.325
tors. eta vs tors. theta energy: -44.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -311.887063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.887063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.887063 (E_RNA)
where:
Base-Base interactions energy: -142.837
where: short stacking energy: -82.401
Base-Backbone interact. energy: -1.300
local terms energy: -167.750669
where:
bonds (distance) C4'-P energy: -44.802
bonds (distance) P-C4' energy: -47.377
flat angles C4'-P-C4' energy: -42.361
flat angles P-C4'-P energy: -27.579
tors. eta vs tors. theta energy: -5.632
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: 10
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -217.976698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.976698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.976698 (E_RNA)
where:
Base-Base interactions energy: -87.800
where: short stacking energy: -72.906
Base-Backbone interact. energy: -1.449
local terms energy: -128.727981
where:
bonds (distance) C4'-P energy: -40.168
bonds (distance) P-C4' energy: -47.911
flat angles C4'-P-C4' energy: -37.124
flat angles P-C4'-P energy: -8.818
tors. eta vs tors. theta energy: 5.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -938.048978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.048978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.048978 (E_RNA)
where:
Base-Base interactions energy: -650.289
where: short stacking energy: -270.944
Base-Backbone interact. energy: -0.232
local terms energy: -287.528066
where:
bonds (distance) C4'-P energy: -53.519
bonds (distance) P-C4' energy: -54.260
flat angles C4'-P-C4' energy: -62.395
flat angles P-C4'-P energy: -42.473
tors. eta vs tors. theta energy: -74.881
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: 4
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -865.165932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.165932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.165932 (E_RNA)
where:
Base-Base interactions energy: -586.559
where: short stacking energy: -235.450
Base-Backbone interact. energy: 2.173
local terms energy: -280.779880
where:
bonds (distance) C4'-P energy: -53.431
bonds (distance) P-C4' energy: -54.856
flat angles C4'-P-C4' energy: -59.561
flat angles P-C4'-P energy: -43.955
tors. eta vs tors. theta energy: -68.978
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: 1
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -872.941524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.941524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.941524 (E_RNA)
where:
Base-Base interactions energy: -614.319
where: short stacking energy: -238.240
Base-Backbone interact. energy: 4.155
local terms energy: -262.777583
where:
bonds (distance) C4'-P energy: -45.948
bonds (distance) P-C4' energy: -49.696
flat angles C4'-P-C4' energy: -57.517
flat angles P-C4'-P energy: -44.769
tors. eta vs tors. theta energy: -64.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -840.459931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.459931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.459931 (E_RNA)
where:
Base-Base interactions energy: -594.556
where: short stacking energy: -244.379
Base-Backbone interact. energy: 0.341
local terms energy: -246.244756
where:
bonds (distance) C4'-P energy: -42.913
bonds (distance) P-C4' energy: -46.046
flat angles C4'-P-C4' energy: -59.197
flat angles P-C4'-P energy: -27.935
tors. eta vs tors. theta energy: -70.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -768.709605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.709605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.709605 (E_RNA)
where:
Base-Base interactions energy: -530.955
where: short stacking energy: -231.026
Base-Backbone interact. energy: -1.367
local terms energy: -236.387564
where:
bonds (distance) C4'-P energy: -46.284
bonds (distance) P-C4' energy: -44.548
flat angles C4'-P-C4' energy: -52.250
flat angles P-C4'-P energy: -29.771
tors. eta vs tors. theta energy: -63.534
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: 8
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -667.386420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.386420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.386420 (E_RNA)
where:
Base-Base interactions energy: -448.924
where: short stacking energy: -187.217
Base-Backbone interact. energy: 1.226
local terms energy: -219.689095
where:
bonds (distance) C4'-P energy: -41.202
bonds (distance) P-C4' energy: -49.396
flat angles C4'-P-C4' energy: -54.742
flat angles P-C4'-P energy: -28.901
tors. eta vs tors. theta energy: -45.448
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: 7
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -670.016007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.016007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.016007 (E_RNA)
where:
Base-Base interactions energy: -461.885
where: short stacking energy: -193.429
Base-Backbone interact. energy: -0.533
local terms energy: -207.598124
where:
bonds (distance) C4'-P energy: -38.198
bonds (distance) P-C4' energy: -46.042
flat angles C4'-P-C4' energy: -40.125
flat angles P-C4'-P energy: -32.760
tors. eta vs tors. theta energy: -50.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -613.297524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.297524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.297524 (E_RNA)
where:
Base-Base interactions energy: -395.938
where: short stacking energy: -164.115
Base-Backbone interact. energy: -1.952
local terms energy: -215.407402
where:
bonds (distance) C4'-P energy: -51.563
bonds (distance) P-C4' energy: -46.600
flat angles C4'-P-C4' energy: -42.207
flat angles P-C4'-P energy: -37.169
tors. eta vs tors. theta energy: -37.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -309.665196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.665196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.665196 (E_RNA)
where:
Base-Base interactions energy: -149.357
where: short stacking energy: -94.250
Base-Backbone interact. energy: 2.256
local terms energy: -162.563924
where:
bonds (distance) C4'-P energy: -42.857
bonds (distance) P-C4' energy: -46.600
flat angles C4'-P-C4' energy: -39.399
flat angles P-C4'-P energy: -28.065
tors. eta vs tors. theta energy: -5.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -234.779567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.779567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.779567 (E_RNA)
where:
Base-Base interactions energy: -65.453
where: short stacking energy: -53.499
Base-Backbone interact. energy: 1.327
local terms energy: -170.653173
where:
bonds (distance) C4'-P energy: -55.683
bonds (distance) P-C4' energy: -48.220
flat angles C4'-P-C4' energy: -44.833
flat angles P-C4'-P energy: -25.422
tors. eta vs tors. theta energy: 3.505
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: 4
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -878.119921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.119921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.119921 (E_RNA)
where:
Base-Base interactions energy: -603.029
where: short stacking energy: -268.016
Base-Backbone interact. energy: -0.804
local terms energy: -274.287282
where:
bonds (distance) C4'-P energy: -55.045
bonds (distance) P-C4' energy: -45.461
flat angles C4'-P-C4' energy: -54.256
flat angles P-C4'-P energy: -43.498
tors. eta vs tors. theta energy: -76.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -902.704336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.704336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.704336 (E_RNA)
where:
Base-Base interactions energy: -624.640
where: short stacking energy: -270.749
Base-Backbone interact. energy: -3.018
local terms energy: -275.046034
where:
bonds (distance) C4'-P energy: -51.400
bonds (distance) P-C4' energy: -46.116
flat angles C4'-P-C4' energy: -58.133
flat angles P-C4'-P energy: -39.165
tors. eta vs tors. theta energy: -80.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -878.457335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.457335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.457335 (E_RNA)
where:
Base-Base interactions energy: -614.588
where: short stacking energy: -233.367
Base-Backbone interact. energy: -1.835
local terms energy: -262.033945
where:
bonds (distance) C4'-P energy: -56.580
bonds (distance) P-C4' energy: -50.105
flat angles C4'-P-C4' energy: -51.610
flat angles P-C4'-P energy: -37.961
tors. eta vs tors. theta energy: -65.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -862.870722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.870722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.870722 (E_RNA)
where:
Base-Base interactions energy: -602.442
where: short stacking energy: -247.199
Base-Backbone interact. energy: -0.689
local terms energy: -259.739650
where:
bonds (distance) C4'-P energy: -46.773
bonds (distance) P-C4' energy: -43.802
flat angles C4'-P-C4' energy: -58.231
flat angles P-C4'-P energy: -45.297
tors. eta vs tors. theta energy: -65.637
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: 6
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -778.738684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.738684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.738684 (E_RNA)
where:
Base-Base interactions energy: -530.654
where: short stacking energy: -218.186
Base-Backbone interact. energy: -1.583
local terms energy: -246.501866
where:
bonds (distance) C4'-P energy: -46.487
bonds (distance) P-C4' energy: -52.952
flat angles C4'-P-C4' energy: -49.816
flat angles P-C4'-P energy: -36.401
tors. eta vs tors. theta energy: -60.846
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: 8
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -702.103812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.103812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.103812 (E_RNA)
where:
Base-Base interactions energy: -462.563
where: short stacking energy: -211.127
Base-Backbone interact. energy: -0.837
local terms energy: -238.703314
where:
bonds (distance) C4'-P energy: -44.676
bonds (distance) P-C4' energy: -45.240
flat angles C4'-P-C4' energy: -55.504
flat angles P-C4'-P energy: -31.950
tors. eta vs tors. theta energy: -61.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -651.722139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.722139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.722139 (E_RNA)
where:
Base-Base interactions energy: -430.643
where: short stacking energy: -170.060
Base-Backbone interact. energy: 1.028
local terms energy: -222.106830
where:
bonds (distance) C4'-P energy: -47.221
bonds (distance) P-C4' energy: -46.586
flat angles C4'-P-C4' energy: -57.725
flat angles P-C4'-P energy: -28.062
tors. eta vs tors. theta energy: -42.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -624.915522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.915522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.915522 (E_RNA)
where:
Base-Base interactions energy: -414.408
where: short stacking energy: -177.735
Base-Backbone interact. energy: -0.321
local terms energy: -210.186990
where:
bonds (distance) C4'-P energy: -39.616
bonds (distance) P-C4' energy: -54.833
flat angles C4'-P-C4' energy: -49.859
flat angles P-C4'-P energy: -30.904
tors. eta vs tors. theta energy: -34.976
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: 9, replica: 10
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -244.120034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.120034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.120034 (E_RNA)
where:
Base-Base interactions energy: -96.367
where: short stacking energy: -81.869
Base-Backbone interact. energy: -1.228
local terms energy: -146.525091
where:
bonds (distance) C4'-P energy: -34.837
bonds (distance) P-C4' energy: -39.642
flat angles C4'-P-C4' energy: -38.616
flat angles P-C4'-P energy: -29.724
tors. eta vs tors. theta energy: -3.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -287.455490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.455490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.455490 (E_RNA)
where:
Base-Base interactions energy: -134.709
where: short stacking energy: -69.464
Base-Backbone interact. energy: 0.566
local terms energy: -153.312451
where:
bonds (distance) C4'-P energy: -50.567
bonds (distance) P-C4' energy: -51.292
flat angles C4'-P-C4' energy: -36.384
flat angles P-C4'-P energy: -22.523
tors. eta vs tors. theta energy: 7.454
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: 4
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -903.256378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.256378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.256378 (E_RNA)
where:
Base-Base interactions energy: -621.563
where: short stacking energy: -267.432
Base-Backbone interact. energy: 1.053
local terms energy: -282.746206
where:
bonds (distance) C4'-P energy: -41.387
bonds (distance) P-C4' energy: -54.669
flat angles C4'-P-C4' energy: -62.354
flat angles P-C4'-P energy: -47.128
tors. eta vs tors. theta energy: -77.208
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: 123
Temperature: 0.950000
Total energy: -885.730955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.730955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.730955 (E_RNA)
where:
Base-Base interactions energy: -602.126
where: short stacking energy: -266.568
Base-Backbone interact. energy: -0.248
local terms energy: -283.357743
where:
bonds (distance) C4'-P energy: -53.031
bonds (distance) P-C4' energy: -55.947
flat angles C4'-P-C4' energy: -59.276
flat angles P-C4'-P energy: -41.033
tors. eta vs tors. theta energy: -74.071
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: 1
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -880.356620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.356620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.356620 (E_RNA)
where:
Base-Base interactions energy: -607.861
where: short stacking energy: -249.009
Base-Backbone interact. energy: -1.972
local terms energy: -270.523242
where:
bonds (distance) C4'-P energy: -45.081
bonds (distance) P-C4' energy: -56.623
flat angles C4'-P-C4' energy: -57.271
flat angles P-C4'-P energy: -39.905
tors. eta vs tors. theta energy: -71.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -840.440158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.440158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.440158 (E_RNA)
where:
Base-Base interactions energy: -580.254
where: short stacking energy: -226.859
Base-Backbone interact. energy: -0.221
local terms energy: -259.964503
where:
bonds (distance) C4'-P energy: -47.851
bonds (distance) P-C4' energy: -49.772
flat angles C4'-P-C4' energy: -57.193
flat angles P-C4'-P energy: -48.360
tors. eta vs tors. theta energy: -56.788
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: 123
Temperature: 1.100000
Total energy: -757.529606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.529606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.529606 (E_RNA)
where:
Base-Base interactions energy: -517.969
where: short stacking energy: -229.255
Base-Backbone interact. energy: -1.557
local terms energy: -238.003342
where:
bonds (distance) C4'-P energy: -47.554
bonds (distance) P-C4' energy: -50.659
flat angles C4'-P-C4' energy: -47.839
flat angles P-C4'-P energy: -35.549
tors. eta vs tors. theta energy: -56.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -677.594049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.594049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.594049 (E_RNA)
where:
Base-Base interactions energy: -458.200
where: short stacking energy: -212.293
Base-Backbone interact. energy: -0.719
local terms energy: -218.674793
where:
bonds (distance) C4'-P energy: -34.661
bonds (distance) P-C4' energy: -45.085
flat angles C4'-P-C4' energy: -51.070
flat angles P-C4'-P energy: -31.922
tors. eta vs tors. theta energy: -55.935
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: 2
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -676.125148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.125148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.125148 (E_RNA)
where:
Base-Base interactions energy: -454.152
where: short stacking energy: -198.758
Base-Backbone interact. energy: 1.010
local terms energy: -222.983193
where:
bonds (distance) C4'-P energy: -47.805
bonds (distance) P-C4' energy: -41.260
flat angles C4'-P-C4' energy: -49.417
flat angles P-C4'-P energy: -33.927
tors. eta vs tors. theta energy: -50.575
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: 8, replica: 7
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -645.677331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.677331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.677331 (E_RNA)
where:
Base-Base interactions energy: -429.912
where: short stacking energy: -177.242
Base-Backbone interact. energy: -1.184
local terms energy: -214.582201
where:
bonds (distance) C4'-P energy: -44.684
bonds (distance) P-C4' energy: -43.056
flat angles C4'-P-C4' energy: -42.076
flat angles P-C4'-P energy: -34.710
tors. eta vs tors. theta energy: -50.056
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: 10
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -251.008576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.008576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.008576 (E_RNA)
where:
Base-Base interactions energy: -87.908
where: short stacking energy: -84.938
Base-Backbone interact. energy: -0.038
local terms energy: -163.062211
where:
bonds (distance) C4'-P energy: -51.494
bonds (distance) P-C4' energy: -27.472
flat angles C4'-P-C4' energy: -50.294
flat angles P-C4'-P energy: -28.794
tors. eta vs tors. theta energy: -5.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -293.925440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.925440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.925440 (E_RNA)
where:
Base-Base interactions energy: -151.344
where: short stacking energy: -80.168
Base-Backbone interact. energy: 0.204
local terms energy: -142.785437
where:
bonds (distance) C4'-P energy: -42.791
bonds (distance) P-C4' energy: -29.843
flat angles C4'-P-C4' energy: -38.602
flat angles P-C4'-P energy: -23.142
tors. eta vs tors. theta energy: -8.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -912.586189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.586189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.586189 (E_RNA)
where:
Base-Base interactions energy: -630.761
where: short stacking energy: -283.476
Base-Backbone interact. energy: -1.447
local terms energy: -280.378783
where:
bonds (distance) C4'-P energy: -48.493
bonds (distance) P-C4' energy: -50.209
flat angles C4'-P-C4' energy: -61.356
flat angles P-C4'-P energy: -36.511
tors. eta vs tors. theta energy: -83.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -870.223247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.223247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.223247 (E_RNA)
where:
Base-Base interactions energy: -608.330
where: short stacking energy: -269.436
Base-Backbone interact. energy: 1.036
local terms energy: -262.929174
where:
bonds (distance) C4'-P energy: -47.391
bonds (distance) P-C4' energy: -48.102
flat angles C4'-P-C4' energy: -60.219
flat angles P-C4'-P energy: -35.804
tors. eta vs tors. theta energy: -71.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -861.885809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.885809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.885809 (E_RNA)
where:
Base-Base interactions energy: -602.343
where: short stacking energy: -253.424
Base-Backbone interact. energy: -0.769
local terms energy: -258.773994
where:
bonds (distance) C4'-P energy: -49.545
bonds (distance) P-C4' energy: -46.615
flat angles C4'-P-C4' energy: -55.919
flat angles P-C4'-P energy: -35.649
tors. eta vs tors. theta energy: -71.045
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: 3
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -831.225133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.225133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.225133 (E_RNA)
where:
Base-Base interactions energy: -572.214
where: short stacking energy: -240.576
Base-Backbone interact. energy: -2.069
local terms energy: -256.942354
where:
bonds (distance) C4'-P energy: -42.509
bonds (distance) P-C4' energy: -62.252
flat angles C4'-P-C4' energy: -48.239
flat angles P-C4'-P energy: -37.643
tors. eta vs tors. theta energy: -66.299
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: 6
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -755.170968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.170968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.170968 (E_RNA)
where:
Base-Base interactions energy: -533.298
where: short stacking energy: -225.626
Base-Backbone interact. energy: -0.527
local terms energy: -221.345963
where:
bonds (distance) C4'-P energy: -37.416
bonds (distance) P-C4' energy: -45.220
flat angles C4'-P-C4' energy: -51.233
flat angles P-C4'-P energy: -34.431
tors. eta vs tors. theta energy: -53.045
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: 8
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -637.946415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.946415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.946415 (E_RNA)
where:
Base-Base interactions energy: -425.092
where: short stacking energy: -176.513
Base-Backbone interact. energy: 0.823
local terms energy: -213.677012
where:
bonds (distance) C4'-P energy: -39.949
bonds (distance) P-C4' energy: -45.815
flat angles C4'-P-C4' energy: -51.536
flat angles P-C4'-P energy: -30.071
tors. eta vs tors. theta energy: -46.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -635.389206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.389206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.389206 (E_RNA)
where:
Base-Base interactions energy: -418.141
where: short stacking energy: -187.665
Base-Backbone interact. energy: 1.411
local terms energy: -218.659810
where:
bonds (distance) C4'-P energy: -46.765
bonds (distance) P-C4' energy: -48.137
flat angles C4'-P-C4' energy: -53.764
flat angles P-C4'-P energy: -30.116
tors. eta vs tors. theta energy: -39.879
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: 8, replica: 7
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -611.778167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.778167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.778167 (E_RNA)
where:
Base-Base interactions energy: -412.704
where: short stacking energy: -170.292
Base-Backbone interact. energy: -0.481
local terms energy: -198.592977
where:
bonds (distance) C4'-P energy: -35.509
bonds (distance) P-C4' energy: -50.769
flat angles C4'-P-C4' energy: -52.581
flat angles P-C4'-P energy: -33.234
tors. eta vs tors. theta energy: -26.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -276.557099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.557099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.557099 (E_RNA)
where:
Base-Base interactions energy: -133.749
where: short stacking energy: -77.212
Base-Backbone interact. energy: -1.006
local terms energy: -141.801377
where:
bonds (distance) C4'-P energy: -51.046
bonds (distance) P-C4' energy: -45.070
flat angles C4'-P-C4' energy: -32.361
flat angles P-C4'-P energy: -20.384
tors. eta vs tors. theta energy: 7.059
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: 10
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -241.873608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.873608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.873608 (E_RNA)
where:
Base-Base interactions energy: -95.505
where: short stacking energy: -65.938
Base-Backbone interact. energy: 1.273
local terms energy: -147.641343
where:
bonds (distance) C4'-P energy: -40.039
bonds (distance) P-C4' energy: -46.438
flat angles C4'-P-C4' energy: -36.976
flat angles P-C4'-P energy: -18.187
tors. eta vs tors. theta energy: -6.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -913.386823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.386823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.386823 (E_RNA)
where:
Base-Base interactions energy: -619.598
where: short stacking energy: -274.296
Base-Backbone interact. energy: 0.547
local terms energy: -294.335571
where:
bonds (distance) C4'-P energy: -53.368
bonds (distance) P-C4' energy: -55.615
flat angles C4'-P-C4' energy: -65.081
flat angles P-C4'-P energy: -41.864
tors. eta vs tors. theta energy: -78.407
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: 1
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -894.441455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.441455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.441455 (E_RNA)
where:
Base-Base interactions energy: -618.527
where: short stacking energy: -264.809
Base-Backbone interact. energy: -1.156
local terms energy: -274.757917
where:
bonds (distance) C4'-P energy: -46.197
bonds (distance) P-C4' energy: -53.569
flat angles C4'-P-C4' energy: -59.517
flat angles P-C4'-P energy: -42.273
tors. eta vs tors. theta energy: -73.204
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: 4
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -865.556412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.556412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.556412 (E_RNA)
where:
Base-Base interactions energy: -595.545
where: short stacking energy: -253.038
Base-Backbone interact. energy: 0.400
local terms energy: -270.412295
where:
bonds (distance) C4'-P energy: -47.723
bonds (distance) P-C4' energy: -54.538
flat angles C4'-P-C4' energy: -56.348
flat angles P-C4'-P energy: -35.747
tors. eta vs tors. theta energy: -76.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -790.713384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.713384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.713384 (E_RNA)
where:
Base-Base interactions energy: -552.263
where: short stacking energy: -236.236
Base-Backbone interact. energy: 0.069
local terms energy: -238.519408
where:
bonds (distance) C4'-P energy: -50.643
bonds (distance) P-C4' energy: -47.291
flat angles C4'-P-C4' energy: -47.270
flat angles P-C4'-P energy: -32.033
tors. eta vs tors. theta energy: -61.282
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: 6
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -751.538790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.538790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.538790 (E_RNA)
where:
Base-Base interactions energy: -520.840
where: short stacking energy: -224.466
Base-Backbone interact. energy: -2.823
local terms energy: -227.875656
where:
bonds (distance) C4'-P energy: -38.894
bonds (distance) P-C4' energy: -50.862
flat angles C4'-P-C4' energy: -50.542
flat angles P-C4'-P energy: -37.314
tors. eta vs tors. theta energy: -50.264
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: 6, replica: 2
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -652.782762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.782762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.782762 (E_RNA)
where:
Base-Base interactions energy: -434.401
where: short stacking energy: -193.431
Base-Backbone interact. energy: -0.981
local terms energy: -217.399915
where:
bonds (distance) C4'-P energy: -50.808
bonds (distance) P-C4' energy: -49.028
flat angles C4'-P-C4' energy: -45.210
flat angles P-C4'-P energy: -31.493
tors. eta vs tors. theta energy: -40.861
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: 8
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -651.173117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.173117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.173117 (E_RNA)
where:
Base-Base interactions energy: -431.897
where: short stacking energy: -192.855
Base-Backbone interact. energy: -1.046
local terms energy: -218.230038
where:
bonds (distance) C4'-P energy: -39.201
bonds (distance) P-C4' energy: -48.741
flat angles C4'-P-C4' energy: -56.124
flat angles P-C4'-P energy: -34.482
tors. eta vs tors. theta energy: -39.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -600.735297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.735297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.735297 (E_RNA)
where:
Base-Base interactions energy: -408.787
where: short stacking energy: -189.861
Base-Backbone interact. energy: -0.953
local terms energy: -190.995316
where:
bonds (distance) C4'-P energy: -33.792
bonds (distance) P-C4' energy: -34.383
flat angles C4'-P-C4' energy: -59.506
flat angles P-C4'-P energy: -19.935
tors. eta vs tors. theta energy: -43.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -275.140131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.140131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.140131 (E_RNA)
where:
Base-Base interactions energy: -123.873
where: short stacking energy: -85.348
Base-Backbone interact. energy: 1.140
local terms energy: -152.406972
where:
bonds (distance) C4'-P energy: -36.400
bonds (distance) P-C4' energy: -43.267
flat angles C4'-P-C4' energy: -44.354
flat angles P-C4'-P energy: -29.427
tors. eta vs tors. theta energy: 1.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -238.631454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.631454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.631454 (E_RNA)
where:
Base-Base interactions energy: -86.018
where: short stacking energy: -69.959
Base-Backbone interact. energy: 1.418
local terms energy: -154.030910
where:
bonds (distance) C4'-P energy: -42.465
bonds (distance) P-C4' energy: -47.919
flat angles C4'-P-C4' energy: -40.309
flat angles P-C4'-P energy: -29.472
tors. eta vs tors. theta energy: 6.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -897.332697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.332697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.332697 (E_RNA)
where:
Base-Base interactions energy: -626.710
where: short stacking energy: -268.427
Base-Backbone interact. energy: 0.241
local terms energy: -270.863607
where:
bonds (distance) C4'-P energy: -50.363
bonds (distance) P-C4' energy: -52.743
flat angles C4'-P-C4' energy: -58.529
flat angles P-C4'-P energy: -37.107
tors. eta vs tors. theta energy: -72.121
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: 2, replica: 1
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -896.992582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.992582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.992582 (E_RNA)
where:
Base-Base interactions energy: -628.799
where: short stacking energy: -250.909
Base-Backbone interact. energy: -0.129
local terms energy: -268.065447
where:
bonds (distance) C4'-P energy: -56.732
bonds (distance) P-C4' energy: -51.484
flat angles C4'-P-C4' energy: -61.099
flat angles P-C4'-P energy: -31.397
tors. eta vs tors. theta energy: -67.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -873.786464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.786464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.786464 (E_RNA)
where:
Base-Base interactions energy: -610.401
where: short stacking energy: -260.898
Base-Backbone interact. energy: -0.308
local terms energy: -263.077377
where:
bonds (distance) C4'-P energy: -49.096
bonds (distance) P-C4' energy: -48.329
flat angles C4'-P-C4' energy: -58.440
flat angles P-C4'-P energy: -37.212
tors. eta vs tors. theta energy: -70.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -798.244335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.244335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.244335 (E_RNA)
where:
Base-Base interactions energy: -568.936
where: short stacking energy: -225.894
Base-Backbone interact. energy: 2.536
local terms energy: -231.843747
where:
bonds (distance) C4'-P energy: -42.551
bonds (distance) P-C4' energy: -48.052
flat angles C4'-P-C4' energy: -56.978
flat angles P-C4'-P energy: -29.077
tors. eta vs tors. theta energy: -55.185
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: 6
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -762.471550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.471550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.471550 (E_RNA)
where:
Base-Base interactions energy: -523.022
where: short stacking energy: -233.141
Base-Backbone interact. energy: -1.310
local terms energy: -238.138926
where:
bonds (distance) C4'-P energy: -56.193
bonds (distance) P-C4' energy: -45.238
flat angles C4'-P-C4' energy: -53.576
flat angles P-C4'-P energy: -32.686
tors. eta vs tors. theta energy: -50.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -642.949557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.949557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.949557 (E_RNA)
where:
Base-Base interactions energy: -426.486
where: short stacking energy: -178.475
Base-Backbone interact. energy: -1.983
local terms energy: -214.480436
where:
bonds (distance) C4'-P energy: -41.624
bonds (distance) P-C4' energy: -50.875
flat angles C4'-P-C4' energy: -52.259
flat angles P-C4'-P energy: -35.564
tors. eta vs tors. theta energy: -34.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -618.051976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.051976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.051976 (E_RNA)
where:
Base-Base interactions energy: -407.636
where: short stacking energy: -175.574
Base-Backbone interact. energy: -0.625
local terms energy: -209.791207
where:
bonds (distance) C4'-P energy: -42.424
bonds (distance) P-C4' energy: -42.948
flat angles C4'-P-C4' energy: -44.447
flat angles P-C4'-P energy: -35.279
tors. eta vs tors. theta energy: -44.693
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: 7
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -558.114556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.114556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.114556 (E_RNA)
where:
Base-Base interactions energy: -371.370
where: short stacking energy: -172.659
Base-Backbone interact. energy: 0.825
local terms energy: -187.569527
where:
bonds (distance) C4'-P energy: -38.279
bonds (distance) P-C4' energy: -42.971
flat angles C4'-P-C4' energy: -49.774
flat angles P-C4'-P energy: -28.738
tors. eta vs tors. theta energy: -27.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -246.874584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.874584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.874584 (E_RNA)
where:
Base-Base interactions energy: -96.380
where: short stacking energy: -83.264
Base-Backbone interact. energy: -0.183
local terms energy: -150.311388
where:
bonds (distance) C4'-P energy: -46.907
bonds (distance) P-C4' energy: -48.747
flat angles C4'-P-C4' energy: -41.410
flat angles P-C4'-P energy: -18.748
tors. eta vs tors. theta energy: 5.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -260.303610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.303610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.303610 (E_RNA)
where:
Base-Base interactions energy: -122.486
where: short stacking energy: -83.859
Base-Backbone interact. energy: -1.530
local terms energy: -136.287632
where:
bonds (distance) C4'-P energy: -38.605
bonds (distance) P-C4' energy: -37.430
flat angles C4'-P-C4' energy: -48.213
flat angles P-C4'-P energy: -19.386
tors. eta vs tors. theta energy: 7.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -902.154647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.154647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.154647 (E_RNA)
where:
Base-Base interactions energy: -622.196
where: short stacking energy: -270.431
Base-Backbone interact. energy: 0.128
local terms energy: -280.087046
where:
bonds (distance) C4'-P energy: -56.665
bonds (distance) P-C4' energy: -47.882
flat angles C4'-P-C4' energy: -62.980
flat angles P-C4'-P energy: -33.953
tors. eta vs tors. theta energy: -78.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -902.753671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.753671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.753671 (E_RNA)
where:
Base-Base interactions energy: -625.132
where: short stacking energy: -263.536
Base-Backbone interact. energy: 1.456
local terms energy: -279.078232
where:
bonds (distance) C4'-P energy: -48.950
bonds (distance) P-C4' energy: -50.049
flat angles C4'-P-C4' energy: -57.051
flat angles P-C4'-P energy: -49.511
tors. eta vs tors. theta energy: -73.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -862.245958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.245958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.245958 (E_RNA)
where:
Base-Base interactions energy: -584.319
where: short stacking energy: -261.160
Base-Backbone interact. energy: -1.283
local terms energy: -276.643829
where:
bonds (distance) C4'-P energy: -53.774
bonds (distance) P-C4' energy: -48.999
flat angles C4'-P-C4' energy: -61.471
flat angles P-C4'-P energy: -39.123
tors. eta vs tors. theta energy: -73.277
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: 6
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -775.386928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.386928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.386928 (E_RNA)
where:
Base-Base interactions energy: -533.027
where: short stacking energy: -232.346
Base-Backbone interact. energy: 0.241
local terms energy: -242.600967
where:
bonds (distance) C4'-P energy: -50.727
bonds (distance) P-C4' energy: -44.995
flat angles C4'-P-C4' energy: -50.888
flat angles P-C4'-P energy: -33.435
tors. eta vs tors. theta energy: -62.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -805.616632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.616632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.616632 (E_RNA)
where:
Base-Base interactions energy: -562.781
where: short stacking energy: -230.026
Base-Backbone interact. energy: 1.382
local terms energy: -244.217791
where:
bonds (distance) C4'-P energy: -40.848
bonds (distance) P-C4' energy: -51.278
flat angles C4'-P-C4' energy: -58.287
flat angles P-C4'-P energy: -29.012
tors. eta vs tors. theta energy: -64.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -658.491144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.491144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.491144 (E_RNA)
where:
Base-Base interactions energy: -423.311
where: short stacking energy: -193.541
Base-Backbone interact. energy: -0.541
local terms energy: -234.639037
where:
bonds (distance) C4'-P energy: -39.479
bonds (distance) P-C4' energy: -53.163
flat angles C4'-P-C4' energy: -55.341
flat angles P-C4'-P energy: -36.242
tors. eta vs tors. theta energy: -50.415
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: 7, replica: 8
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -605.975664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.975664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.975664 (E_RNA)
where:
Base-Base interactions energy: -410.133
where: short stacking energy: -176.374
Base-Backbone interact. energy: -2.286
local terms energy: -193.556624
where:
bonds (distance) C4'-P energy: -37.342
bonds (distance) P-C4' energy: -45.482
flat angles C4'-P-C4' energy: -45.632
flat angles P-C4'-P energy: -22.466
tors. eta vs tors. theta energy: -42.635
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: 8, replica: 7
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -547.606569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.606569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.606569 (E_RNA)
where:
Base-Base interactions energy: -363.973
where: short stacking energy: -170.147
Base-Backbone interact. energy: 1.014
local terms energy: -184.647464
where:
bonds (distance) C4'-P energy: -37.009
bonds (distance) P-C4' energy: -41.583
flat angles C4'-P-C4' energy: -50.536
flat angles P-C4'-P energy: -19.948
tors. eta vs tors. theta energy: -35.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -238.465832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.465832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.465832 (E_RNA)
where:
Base-Base interactions energy: -90.973
where: short stacking energy: -72.493
Base-Backbone interact. energy: 0.981
local terms energy: -148.473870
where:
bonds (distance) C4'-P energy: -41.164
bonds (distance) P-C4' energy: -53.183
flat angles C4'-P-C4' energy: -44.291
flat angles P-C4'-P energy: -15.515
tors. eta vs tors. theta energy: 5.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -223.967430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.967430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.967430 (E_RNA)
where:
Base-Base interactions energy: -76.260
where: short stacking energy: -57.882
Base-Backbone interact. energy: -1.279
local terms energy: -146.428788
where:
bonds (distance) C4'-P energy: -39.029
bonds (distance) P-C4' energy: -52.686
flat angles C4'-P-C4' energy: -40.133
flat angles P-C4'-P energy: -20.780
tors. eta vs tors. theta energy: 6.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -914.994482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.994482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.994482 (E_RNA)
where:
Base-Base interactions energy: -622.920
where: short stacking energy: -265.011
Base-Backbone interact. energy: -1.154
local terms energy: -290.920550
where:
bonds (distance) C4'-P energy: -51.832
bonds (distance) P-C4' energy: -52.383
flat angles C4'-P-C4' energy: -62.484
flat angles P-C4'-P energy: -50.237
tors. eta vs tors. theta energy: -73.984
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: 1
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -910.508800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.508800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.508800 (E_RNA)
where:
Base-Base interactions energy: -648.221
where: short stacking energy: -269.389
Base-Backbone interact. energy: -0.606
local terms energy: -261.681256
where:
bonds (distance) C4'-P energy: -50.024
bonds (distance) P-C4' energy: -48.807
flat angles C4'-P-C4' energy: -59.862
flat angles P-C4'-P energy: -34.758
tors. eta vs tors. theta energy: -68.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -855.665277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.665277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.665277 (E_RNA)
where:
Base-Base interactions energy: -594.095
where: short stacking energy: -255.398
Base-Backbone interact. energy: -1.119
local terms energy: -260.451910
where:
bonds (distance) C4'-P energy: -49.855
bonds (distance) P-C4' energy: -52.463
flat angles C4'-P-C4' energy: -53.376
flat angles P-C4'-P energy: -32.981
tors. eta vs tors. theta energy: -71.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -780.160538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.160538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.160538 (E_RNA)
where:
Base-Base interactions energy: -513.195
where: short stacking energy: -238.169
Base-Backbone interact. energy: -0.283
local terms energy: -266.682230
where:
bonds (distance) C4'-P energy: -45.985
bonds (distance) P-C4' energy: -49.924
flat angles C4'-P-C4' energy: -56.701
flat angles P-C4'-P energy: -48.415
tors. eta vs tors. theta energy: -65.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -832.597192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.597192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.597192 (E_RNA)
where:
Base-Base interactions energy: -583.580
where: short stacking energy: -249.928
Base-Backbone interact. energy: 1.884
local terms energy: -250.901390
where:
bonds (distance) C4'-P energy: -47.096
bonds (distance) P-C4' energy: -49.772
flat angles C4'-P-C4' energy: -50.236
flat angles P-C4'-P energy: -37.901
tors. eta vs tors. theta energy: -65.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -631.199567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.199567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.199567 (E_RNA)
where:
Base-Base interactions energy: -407.318
where: short stacking energy: -184.050
Base-Backbone interact. energy: -1.009
local terms energy: -222.872618
where:
bonds (distance) C4'-P energy: -49.446
bonds (distance) P-C4' energy: -55.824
flat angles C4'-P-C4' energy: -40.427
flat angles P-C4'-P energy: -36.819
tors. eta vs tors. theta energy: -40.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -567.416656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.416656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.416656 (E_RNA)
where:
Base-Base interactions energy: -360.561
where: short stacking energy: -178.356
Base-Backbone interact. energy: -1.153
local terms energy: -205.702744
where:
bonds (distance) C4'-P energy: -48.436
bonds (distance) P-C4' energy: -42.996
flat angles C4'-P-C4' energy: -46.981
flat angles P-C4'-P energy: -32.542
tors. eta vs tors. theta energy: -34.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -562.969191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.969191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.969191 (E_RNA)
where:
Base-Base interactions energy: -381.320
where: short stacking energy: -163.364
Base-Backbone interact. energy: -1.324
local terms energy: -180.325112
where:
bonds (distance) C4'-P energy: -31.652
bonds (distance) P-C4' energy: -45.969
flat angles C4'-P-C4' energy: -40.086
flat angles P-C4'-P energy: -31.216
tors. eta vs tors. theta energy: -31.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -258.862590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.862590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.862590 (E_RNA)
where:
Base-Base interactions energy: -78.749
where: short stacking energy: -61.527
Base-Backbone interact. energy: 0.041
local terms energy: -180.154213
where:
bonds (distance) C4'-P energy: -41.845
bonds (distance) P-C4' energy: -58.187
flat angles C4'-P-C4' energy: -39.426
flat angles P-C4'-P energy: -36.842
tors. eta vs tors. theta energy: -3.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -219.820654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.820654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.820654 (E_RNA)
where:
Base-Base interactions energy: -95.587
where: short stacking energy: -83.490
Base-Backbone interact. energy: 0.576
local terms energy: -124.809785
where:
bonds (distance) C4'-P energy: -40.311
bonds (distance) P-C4' energy: -43.446
flat angles C4'-P-C4' energy: -32.302
flat angles P-C4'-P energy: -15.848
tors. eta vs tors. theta energy: 7.097
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: 1, replica: 5
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -931.075541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.075541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.075541 (E_RNA)
where:
Base-Base interactions energy: -636.837
where: short stacking energy: -276.745
Base-Backbone interact. energy: -2.122
local terms energy: -292.116771
where:
bonds (distance) C4'-P energy: -50.460
bonds (distance) P-C4' energy: -56.248
flat angles C4'-P-C4' energy: -58.066
flat angles P-C4'-P energy: -45.076
tors. eta vs tors. theta energy: -82.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -905.657715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.657715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.657715 (E_RNA)
where:
Base-Base interactions energy: -638.331
where: short stacking energy: -264.056
Base-Backbone interact. energy: 0.448
local terms energy: -267.775141
where:
bonds (distance) C4'-P energy: -49.311
bonds (distance) P-C4' energy: -48.051
flat angles C4'-P-C4' energy: -61.014
flat angles P-C4'-P energy: -41.473
tors. eta vs tors. theta energy: -67.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -841.234771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.234771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.234771 (E_RNA)
where:
Base-Base interactions energy: -570.722
where: short stacking energy: -259.610
Base-Backbone interact. energy: -0.967
local terms energy: -269.545588
where:
bonds (distance) C4'-P energy: -57.334
bonds (distance) P-C4' energy: -44.670
flat angles C4'-P-C4' energy: -63.579
flat angles P-C4'-P energy: -38.394
tors. eta vs tors. theta energy: -65.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -793.915408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.915408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.915408 (E_RNA)
where:
Base-Base interactions energy: -534.160
where: short stacking energy: -232.321
Base-Backbone interact. energy: -1.422
local terms energy: -258.333351
where:
bonds (distance) C4'-P energy: -46.663
bonds (distance) P-C4' energy: -55.186
flat angles C4'-P-C4' energy: -58.495
flat angles P-C4'-P energy: -36.670
tors. eta vs tors. theta energy: -61.319
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: 6
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -761.572066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.572066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.572066 (E_RNA)
where:
Base-Base interactions energy: -509.562
where: short stacking energy: -211.600
Base-Backbone interact. energy: -1.420
local terms energy: -250.589912
where:
bonds (distance) C4'-P energy: -50.035
bonds (distance) P-C4' energy: -51.989
flat angles C4'-P-C4' energy: -51.556
flat angles P-C4'-P energy: -36.233
tors. eta vs tors. theta energy: -60.777
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: 2
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -638.404340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.404340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.404340 (E_RNA)
where:
Base-Base interactions energy: -412.940
where: short stacking energy: -184.122
Base-Backbone interact. energy: -1.491
local terms energy: -223.973580
where:
bonds (distance) C4'-P energy: -50.294
bonds (distance) P-C4' energy: -54.513
flat angles C4'-P-C4' energy: -52.229
flat angles P-C4'-P energy: -21.885
tors. eta vs tors. theta energy: -45.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -583.983461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.983461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.983461 (E_RNA)
where:
Base-Base interactions energy: -358.613
where: short stacking energy: -171.456
Base-Backbone interact. energy: -0.626
local terms energy: -224.744067
where:
bonds (distance) C4'-P energy: -47.915
bonds (distance) P-C4' energy: -49.718
flat angles C4'-P-C4' energy: -53.321
flat angles P-C4'-P energy: -34.555
tors. eta vs tors. theta energy: -39.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -567.338557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.338557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.338557 (E_RNA)
where:
Base-Base interactions energy: -363.513
where: short stacking energy: -165.253
Base-Backbone interact. energy: 1.250
local terms energy: -205.075338
where:
bonds (distance) C4'-P energy: -43.857
bonds (distance) P-C4' energy: -44.798
flat angles C4'-P-C4' energy: -44.495
flat angles P-C4'-P energy: -35.356
tors. eta vs tors. theta energy: -36.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -231.620961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.620961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.620961 (E_RNA)
where:
Base-Base interactions energy: -95.675
where: short stacking energy: -66.907
Base-Backbone interact. energy: 0.576
local terms energy: -136.521484
where:
bonds (distance) C4'-P energy: -42.377
bonds (distance) P-C4' energy: -48.441
flat angles C4'-P-C4' energy: -46.268
flat angles P-C4'-P energy: -11.858
tors. eta vs tors. theta energy: 12.423
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: 10
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -227.489324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.489324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.489324 (E_RNA)
where:
Base-Base interactions energy: -86.822
where: short stacking energy: -67.930
Base-Backbone interact. energy: -1.119
local terms energy: -139.548520
where:
bonds (distance) C4'-P energy: -48.563
bonds (distance) P-C4' energy: -49.139
flat angles C4'-P-C4' energy: -31.849
flat angles P-C4'-P energy: -19.065
tors. eta vs tors. theta energy: 9.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -916.798829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.798829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.798829 (E_RNA)
where:
Base-Base interactions energy: -633.295
where: short stacking energy: -271.613
Base-Backbone interact. energy: -3.304
local terms energy: -280.200290
where:
bonds (distance) C4'-P energy: -53.685
bonds (distance) P-C4' energy: -57.746
flat angles C4'-P-C4' energy: -53.396
flat angles P-C4'-P energy: -41.238
tors. eta vs tors. theta energy: -74.135
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: 2, replica: 5
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -902.600802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.600802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.600802 (E_RNA)
where:
Base-Base interactions energy: -627.849
where: short stacking energy: -272.447
Base-Backbone interact. energy: -2.599
local terms energy: -272.153167
where:
bonds (distance) C4'-P energy: -44.692
bonds (distance) P-C4' energy: -52.292
flat angles C4'-P-C4' energy: -60.371
flat angles P-C4'-P energy: -33.858
tors. eta vs tors. theta energy: -80.939
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: 3, replica: 4
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -846.754100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.754100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.754100 (E_RNA)
where:
Base-Base interactions energy: -597.051
where: short stacking energy: -265.061
Base-Backbone interact. energy: -1.010
local terms energy: -248.692591
where:
bonds (distance) C4'-P energy: -49.137
bonds (distance) P-C4' energy: -48.886
flat angles C4'-P-C4' energy: -52.290
flat angles P-C4'-P energy: -33.469
tors. eta vs tors. theta energy: -64.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -778.221266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.221266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.221266 (E_RNA)
where:
Base-Base interactions energy: -529.749
where: short stacking energy: -236.488
Base-Backbone interact. energy: 1.427
local terms energy: -249.898996
where:
bonds (distance) C4'-P energy: -46.563
bonds (distance) P-C4' energy: -46.503
flat angles C4'-P-C4' energy: -59.521
flat angles P-C4'-P energy: -30.888
tors. eta vs tors. theta energy: -66.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -766.135453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.135453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.135453 (E_RNA)
where:
Base-Base interactions energy: -527.925
where: short stacking energy: -232.285
Base-Backbone interact. energy: -0.237
local terms energy: -237.973824
where:
bonds (distance) C4'-P energy: -52.490
bonds (distance) P-C4' energy: -48.391
flat angles C4'-P-C4' energy: -46.909
flat angles P-C4'-P energy: -30.780
tors. eta vs tors. theta energy: -59.404
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: 2
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -630.225863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.225863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.225863 (E_RNA)
where:
Base-Base interactions energy: -391.172
where: short stacking energy: -179.822
Base-Backbone interact. energy: -0.488
local terms energy: -238.566507
where:
bonds (distance) C4'-P energy: -48.707
bonds (distance) P-C4' energy: -51.210
flat angles C4'-P-C4' energy: -50.764
flat angles P-C4'-P energy: -43.948
tors. eta vs tors. theta energy: -43.938
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: 7
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -596.223814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.223814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.223814 (E_RNA)
where:
Base-Base interactions energy: -382.243
where: short stacking energy: -165.563
Base-Backbone interact. energy: -0.512
local terms energy: -213.468834
where:
bonds (distance) C4'-P energy: -44.061
bonds (distance) P-C4' energy: -43.880
flat angles C4'-P-C4' energy: -50.477
flat angles P-C4'-P energy: -33.244
tors. eta vs tors. theta energy: -41.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -570.530048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.530048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.530048 (E_RNA)
where:
Base-Base interactions energy: -375.684
where: short stacking energy: -160.498
Base-Backbone interact. energy: -0.795
local terms energy: -194.050950
where:
bonds (distance) C4'-P energy: -40.681
bonds (distance) P-C4' energy: -45.789
flat angles C4'-P-C4' energy: -44.384
flat angles P-C4'-P energy: -30.246
tors. eta vs tors. theta energy: -32.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -236.063904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.063904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.063904 (E_RNA)
where:
Base-Base interactions energy: -92.017
where: short stacking energy: -78.921
Base-Backbone interact. energy: 2.409
local terms energy: -146.456116
where:
bonds (distance) C4'-P energy: -37.329
bonds (distance) P-C4' energy: -55.592
flat angles C4'-P-C4' energy: -35.556
flat angles P-C4'-P energy: -26.827
tors. eta vs tors. theta energy: 8.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -224.083189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.083189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.083189 (E_RNA)
where:
Base-Base interactions energy: -74.524
where: short stacking energy: -65.757
Base-Backbone interact. energy: -1.136
local terms energy: -148.422912
where:
bonds (distance) C4'-P energy: -42.744
bonds (distance) P-C4' energy: -46.510
flat angles C4'-P-C4' energy: -40.784
flat angles P-C4'-P energy: -14.298
tors. eta vs tors. theta energy: -4.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -921.381615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.381615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.381615 (E_RNA)
where:
Base-Base interactions energy: -636.816
where: short stacking energy: -269.082
Base-Backbone interact. energy: -0.171
local terms energy: -284.395238
where:
bonds (distance) C4'-P energy: -53.228
bonds (distance) P-C4' energy: -54.674
flat angles C4'-P-C4' energy: -55.697
flat angles P-C4'-P energy: -42.314
tors. eta vs tors. theta energy: -78.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -922.946743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.946743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.946743 (E_RNA)
where:
Base-Base interactions energy: -644.223
where: short stacking energy: -269.875
Base-Backbone interact. energy: -1.090
local terms energy: -277.633347
where:
bonds (distance) C4'-P energy: -52.649
bonds (distance) P-C4' energy: -53.087
flat angles C4'-P-C4' energy: -56.730
flat angles P-C4'-P energy: -37.413
tors. eta vs tors. theta energy: -77.754
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: 131
Temperature: 1.000000
Total energy: -859.503939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.503939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.503939 (E_RNA)
where:
Base-Base interactions energy: -596.851
where: short stacking energy: -252.220
Base-Backbone interact. energy: -1.111
local terms energy: -261.541872
where:
bonds (distance) C4'-P energy: -53.721
bonds (distance) P-C4' energy: -45.580
flat angles C4'-P-C4' energy: -58.324
flat angles P-C4'-P energy: -34.399
tors. eta vs tors. theta energy: -69.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -784.771019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.771019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.771019 (E_RNA)
where:
Base-Base interactions energy: -536.298
where: short stacking energy: -245.078
Base-Backbone interact. energy: 1.771
local terms energy: -250.244371
where:
bonds (distance) C4'-P energy: -48.611
bonds (distance) P-C4' energy: -41.815
flat angles C4'-P-C4' energy: -55.528
flat angles P-C4'-P energy: -41.746
tors. eta vs tors. theta energy: -62.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -734.509622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.509622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.509622 (E_RNA)
where:
Base-Base interactions energy: -499.639
where: short stacking energy: -205.698
Base-Backbone interact. energy: -1.687
local terms energy: -233.184006
where:
bonds (distance) C4'-P energy: -48.139
bonds (distance) P-C4' energy: -56.449
flat angles C4'-P-C4' energy: -45.190
flat angles P-C4'-P energy: -36.153
tors. eta vs tors. theta energy: -47.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -627.955467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.955467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.955467 (E_RNA)
where:
Base-Base interactions energy: -411.106
where: short stacking energy: -183.307
Base-Backbone interact. energy: -1.204
local terms energy: -215.645606
where:
bonds (distance) C4'-P energy: -51.607
bonds (distance) P-C4' energy: -45.363
flat angles C4'-P-C4' energy: -49.125
flat angles P-C4'-P energy: -34.359
tors. eta vs tors. theta energy: -35.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -576.076139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.076139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.076139 (E_RNA)
where:
Base-Base interactions energy: -365.874
where: short stacking energy: -157.425
Base-Backbone interact. energy: 1.169
local terms energy: -211.371984
where:
bonds (distance) C4'-P energy: -42.767
bonds (distance) P-C4' energy: -42.879
flat angles C4'-P-C4' energy: -61.351
flat angles P-C4'-P energy: -34.175
tors. eta vs tors. theta energy: -30.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -580.063795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.063795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.063795 (E_RNA)
where:
Base-Base interactions energy: -374.359
where: short stacking energy: -172.394
Base-Backbone interact. energy: -0.582
local terms energy: -205.123076
where:
bonds (distance) C4'-P energy: -51.658
bonds (distance) P-C4' energy: -45.211
flat angles C4'-P-C4' energy: -37.031
flat angles P-C4'-P energy: -31.574
tors. eta vs tors. theta energy: -39.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -236.582650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.582650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.582650 (E_RNA)
where:
Base-Base interactions energy: -102.291
where: short stacking energy: -95.945
Base-Backbone interact. energy: -0.250
local terms energy: -134.042221
where:
bonds (distance) C4'-P energy: -42.495
bonds (distance) P-C4' energy: -27.957
flat angles C4'-P-C4' energy: -47.387
flat angles P-C4'-P energy: -18.741
tors. eta vs tors. theta energy: 2.538
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: 10
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -209.217463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.217463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.217463 (E_RNA)
where:
Base-Base interactions energy: -74.796
where: short stacking energy: -52.776
Base-Backbone interact. energy: 0.893
local terms energy: -135.314373
where:
bonds (distance) C4'-P energy: -50.051
bonds (distance) P-C4' energy: -46.709
flat angles C4'-P-C4' energy: -30.802
flat angles P-C4'-P energy: -18.582
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: 5
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -909.488977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.488977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.488977 (E_RNA)
where:
Base-Base interactions energy: -630.765
where: short stacking energy: -265.664
Base-Backbone interact. energy: -2.742
local terms energy: -275.982072
where:
bonds (distance) C4'-P energy: -45.040
bonds (distance) P-C4' energy: -53.874
flat angles C4'-P-C4' energy: -58.866
flat angles P-C4'-P energy: -38.729
tors. eta vs tors. theta energy: -79.473
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: 2, replica: 1
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -907.527751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.527751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.527751 (E_RNA)
where:
Base-Base interactions energy: -626.099
where: short stacking energy: -265.266
Base-Backbone interact. energy: 1.024
local terms energy: -282.452741
where:
bonds (distance) C4'-P energy: -48.867
bonds (distance) P-C4' energy: -53.116
flat angles C4'-P-C4' energy: -60.497
flat angles P-C4'-P energy: -41.366
tors. eta vs tors. theta energy: -78.607
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: 132
Temperature: 1.000000
Total energy: -852.882074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.882074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.882074 (E_RNA)
where:
Base-Base interactions energy: -580.473
where: short stacking energy: -256.077
Base-Backbone interact. energy: -1.748
local terms energy: -270.661074
where:
bonds (distance) C4'-P energy: -50.827
bonds (distance) P-C4' energy: -58.143
flat angles C4'-P-C4' energy: -47.740
flat angles P-C4'-P energy: -41.546
tors. eta vs tors. theta energy: -72.405
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: 4, replica: 3
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -800.545640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.545640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.545640 (E_RNA)
where:
Base-Base interactions energy: -567.563
where: short stacking energy: -228.866
Base-Backbone interact. energy: 1.182
local terms energy: -234.164988
where:
bonds (distance) C4'-P energy: -53.712
bonds (distance) P-C4' energy: -41.566
flat angles C4'-P-C4' energy: -55.285
flat angles P-C4'-P energy: -24.412
tors. eta vs tors. theta energy: -59.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -725.096917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.096917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.096917 (E_RNA)
where:
Base-Base interactions energy: -502.856
where: short stacking energy: -199.151
Base-Backbone interact. energy: -0.890
local terms energy: -221.350248
where:
bonds (distance) C4'-P energy: -46.038
bonds (distance) P-C4' energy: -52.083
flat angles C4'-P-C4' energy: -46.566
flat angles P-C4'-P energy: -30.663
tors. eta vs tors. theta energy: -46.001
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: 7
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -642.639761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.639761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.639761 (E_RNA)
where:
Base-Base interactions energy: -422.243
where: short stacking energy: -186.852
Base-Backbone interact. energy: -1.070
local terms energy: -219.326788
where:
bonds (distance) C4'-P energy: -48.793
bonds (distance) P-C4' energy: -45.296
flat angles C4'-P-C4' energy: -47.944
flat angles P-C4'-P energy: -36.406
tors. eta vs tors. theta energy: -40.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -606.565564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.565564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.565564 (E_RNA)
where:
Base-Base interactions energy: -400.352
where: short stacking energy: -167.908
Base-Backbone interact. energy: -1.946
local terms energy: -204.267684
where:
bonds (distance) C4'-P energy: -34.827
bonds (distance) P-C4' energy: -51.069
flat angles C4'-P-C4' energy: -44.646
flat angles P-C4'-P energy: -33.003
tors. eta vs tors. theta energy: -40.723
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: 8, replica: 2
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -570.858879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.858879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.858879 (E_RNA)
where:
Base-Base interactions energy: -368.738
where: short stacking energy: -171.520
Base-Backbone interact. energy: 2.809
local terms energy: -204.929738
where:
bonds (distance) C4'-P energy: -44.174
bonds (distance) P-C4' energy: -48.951
flat angles C4'-P-C4' energy: -38.094
flat angles P-C4'-P energy: -35.887
tors. eta vs tors. theta energy: -37.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -258.919243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.919243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.919243 (E_RNA)
where:
Base-Base interactions energy: -117.055
where: short stacking energy: -79.211
Base-Backbone interact. energy: 5.179
local terms energy: -147.044005
where:
bonds (distance) C4'-P energy: -44.345
bonds (distance) P-C4' energy: -45.323
flat angles C4'-P-C4' energy: -44.436
flat angles P-C4'-P energy: -22.577
tors. eta vs tors. theta energy: 9.636
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: 10
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -233.918139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.918139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.918139 (E_RNA)
where:
Base-Base interactions energy: -82.968
where: short stacking energy: -69.064
Base-Backbone interact. energy: -0.273
local terms energy: -150.677843
where:
bonds (distance) C4'-P energy: -38.198
bonds (distance) P-C4' energy: -50.600
flat angles C4'-P-C4' energy: -33.520
flat angles P-C4'-P energy: -25.639
tors. eta vs tors. theta energy: -2.720
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: 5
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -929.406849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.406849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.406849 (E_RNA)
where:
Base-Base interactions energy: -660.280
where: short stacking energy: -266.149
Base-Backbone interact. energy: -3.425
local terms energy: -265.701913
where:
bonds (distance) C4'-P energy: -46.664
bonds (distance) P-C4' energy: -56.623
flat angles C4'-P-C4' energy: -57.418
flat angles P-C4'-P energy: -36.159
tors. eta vs tors. theta energy: -68.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -908.155952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.155952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.155952 (E_RNA)
where:
Base-Base interactions energy: -625.198
where: short stacking energy: -261.789
Base-Backbone interact. energy: -1.459
local terms energy: -281.498875
where:
bonds (distance) C4'-P energy: -50.797
bonds (distance) P-C4' energy: -59.315
flat angles C4'-P-C4' energy: -61.299
flat angles P-C4'-P energy: -38.825
tors. eta vs tors. theta energy: -71.263
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: 4
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -859.178883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.178883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.178883 (E_RNA)
where:
Base-Base interactions energy: -603.166
where: short stacking energy: -268.993
Base-Backbone interact. energy: -1.683
local terms energy: -254.330149
where:
bonds (distance) C4'-P energy: -49.201
bonds (distance) P-C4' energy: -52.655
flat angles C4'-P-C4' energy: -50.302
flat angles P-C4'-P energy: -34.432
tors. eta vs tors. theta energy: -67.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -836.377726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.377726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.377726 (E_RNA)
where:
Base-Base interactions energy: -570.906
where: short stacking energy: -250.707
Base-Backbone interact. energy: -2.222
local terms energy: -263.249704
where:
bonds (distance) C4'-P energy: -48.993
bonds (distance) P-C4' energy: -52.408
flat angles C4'-P-C4' energy: -55.921
flat angles P-C4'-P energy: -41.050
tors. eta vs tors. theta energy: -64.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -764.121025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.121025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.121025 (E_RNA)
where:
Base-Base interactions energy: -520.540
where: short stacking energy: -214.618
Base-Backbone interact. energy: 5.863
local terms energy: -249.443613
where:
bonds (distance) C4'-P energy: -58.951
bonds (distance) P-C4' energy: -44.047
flat angles C4'-P-C4' energy: -54.477
flat angles P-C4'-P energy: -41.286
tors. eta vs tors. theta energy: -50.682
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: 6, replica: 8
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -704.505859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.505859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.505859 (E_RNA)
where:
Base-Base interactions energy: -469.079
where: short stacking energy: -215.089
Base-Backbone interact. energy: -1.866
local terms energy: -233.560870
where:
bonds (distance) C4'-P energy: -49.170
bonds (distance) P-C4' energy: -54.825
flat angles C4'-P-C4' energy: -49.761
flat angles P-C4'-P energy: -26.598
tors. eta vs tors. theta energy: -53.207
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: 7
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -634.228176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.228176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.228176 (E_RNA)
where:
Base-Base interactions energy: -417.158
where: short stacking energy: -168.444
Base-Backbone interact. energy: -0.868
local terms energy: -216.201933
where:
bonds (distance) C4'-P energy: -48.598
bonds (distance) P-C4' energy: -50.043
flat angles C4'-P-C4' energy: -44.575
flat angles P-C4'-P energy: -34.684
tors. eta vs tors. theta energy: -38.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -600.700827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.700827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.700827 (E_RNA)
where:
Base-Base interactions energy: -407.630
where: short stacking energy: -176.866
Base-Backbone interact. energy: 0.028
local terms energy: -193.098775
where:
bonds (distance) C4'-P energy: -31.759
bonds (distance) P-C4' energy: -53.346
flat angles C4'-P-C4' energy: -32.825
flat angles P-C4'-P energy: -38.757
tors. eta vs tors. theta energy: -36.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -284.030052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.030052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.030052 (E_RNA)
where:
Base-Base interactions energy: -107.255
where: short stacking energy: -87.726
Base-Backbone interact. energy: -0.470
local terms energy: -176.305213
where:
bonds (distance) C4'-P energy: -50.429
bonds (distance) P-C4' energy: -57.471
flat angles C4'-P-C4' energy: -42.065
flat angles P-C4'-P energy: -19.137
tors. eta vs tors. theta energy: -7.204
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: 10, replica: 10
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -220.803800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.803800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.803800 (E_RNA)
where:
Base-Base interactions energy: -84.484
where: short stacking energy: -80.733
Base-Backbone interact. energy: 1.694
local terms energy: -138.014058
where:
bonds (distance) C4'-P energy: -38.295
bonds (distance) P-C4' energy: -26.548
flat angles C4'-P-C4' energy: -33.107
flat angles P-C4'-P energy: -28.728
tors. eta vs tors. theta energy: -11.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -921.920283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.920283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.920283 (E_RNA)
where:
Base-Base interactions energy: -647.609
where: short stacking energy: -251.821
Base-Backbone interact. energy: -1.364
local terms energy: -272.947112
where:
bonds (distance) C4'-P energy: -48.680
bonds (distance) P-C4' energy: -53.141
flat angles C4'-P-C4' energy: -59.607
flat angles P-C4'-P energy: -42.368
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: 2, replica: 1
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -902.724927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.724927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.724927 (E_RNA)
where:
Base-Base interactions energy: -648.817
where: short stacking energy: -261.967
Base-Backbone interact. energy: 0.987
local terms energy: -254.895243
where:
bonds (distance) C4'-P energy: -44.270
bonds (distance) P-C4' energy: -43.371
flat angles C4'-P-C4' energy: -61.915
flat angles P-C4'-P energy: -35.141
tors. eta vs tors. theta energy: -70.199
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: 4
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -844.983180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.983180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.983180 (E_RNA)
where:
Base-Base interactions energy: -599.173
where: short stacking energy: -257.707
Base-Backbone interact. energy: -0.636
local terms energy: -245.173866
where:
bonds (distance) C4'-P energy: -40.204
bonds (distance) P-C4' energy: -43.904
flat angles C4'-P-C4' energy: -59.314
flat angles P-C4'-P energy: -32.100
tors. eta vs tors. theta energy: -69.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -831.149010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.149010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.149010 (E_RNA)
where:
Base-Base interactions energy: -570.195
where: short stacking energy: -233.130
Base-Backbone interact. energy: -0.205
local terms energy: -260.749482
where:
bonds (distance) C4'-P energy: -45.958
bonds (distance) P-C4' energy: -48.884
flat angles C4'-P-C4' energy: -59.263
flat angles P-C4'-P energy: -37.019
tors. eta vs tors. theta energy: -69.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -752.090463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.090463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.090463 (E_RNA)
where:
Base-Base interactions energy: -506.287
where: short stacking energy: -219.056
Base-Backbone interact. energy: -0.648
local terms energy: -245.155385
where:
bonds (distance) C4'-P energy: -47.115
bonds (distance) P-C4' energy: -58.111
flat angles C4'-P-C4' energy: -50.584
flat angles P-C4'-P energy: -35.143
tors. eta vs tors. theta energy: -54.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -696.150277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.150277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.150277 (E_RNA)
where:
Base-Base interactions energy: -467.417
where: short stacking energy: -205.154
Base-Backbone interact. energy: 0.586
local terms energy: -229.318635
where:
bonds (distance) C4'-P energy: -47.455
bonds (distance) P-C4' energy: -49.612
flat angles C4'-P-C4' energy: -55.164
flat angles P-C4'-P energy: -27.454
tors. eta vs tors. theta energy: -49.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -573.732358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.732358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.732358 (E_RNA)
where:
Base-Base interactions energy: -368.003
where: short stacking energy: -160.964
Base-Backbone interact. energy: -0.888
local terms energy: -204.841029
where:
bonds (distance) C4'-P energy: -48.301
bonds (distance) P-C4' energy: -56.108
flat angles C4'-P-C4' energy: -38.889
flat angles P-C4'-P energy: -24.604
tors. eta vs tors. theta energy: -36.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -543.567751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.567751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.567751 (E_RNA)
where:
Base-Base interactions energy: -359.996
where: short stacking energy: -159.022
Base-Backbone interact. energy: 0.898
local terms energy: -184.470440
where:
bonds (distance) C4'-P energy: -40.416
bonds (distance) P-C4' energy: -38.428
flat angles C4'-P-C4' energy: -48.819
flat angles P-C4'-P energy: -21.035
tors. eta vs tors. theta energy: -35.772
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: 10
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -294.606719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.606719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.606719 (E_RNA)
where:
Base-Base interactions energy: -136.011
where: short stacking energy: -84.674
Base-Backbone interact. energy: -1.528
local terms energy: -157.068267
where:
bonds (distance) C4'-P energy: -43.352
bonds (distance) P-C4' energy: -54.995
flat angles C4'-P-C4' energy: -43.541
flat angles P-C4'-P energy: -18.787
tors. eta vs tors. theta energy: 3.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -218.607931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.607931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.607931 (E_RNA)
where:
Base-Base interactions energy: -57.029
where: short stacking energy: -53.205
Base-Backbone interact. energy: 1.451
local terms energy: -163.030246
where:
bonds (distance) C4'-P energy: -44.530
bonds (distance) P-C4' energy: -48.456
flat angles C4'-P-C4' energy: -39.165
flat angles P-C4'-P energy: -28.720
tors. eta vs tors. theta energy: -2.159
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: 1, replica: 5
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -907.850537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.850537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.850537 (E_RNA)
where:
Base-Base interactions energy: -633.018
where: short stacking energy: -252.410
Base-Backbone interact. energy: 0.739
local terms energy: -275.571893
where:
bonds (distance) C4'-P energy: -53.883
bonds (distance) P-C4' energy: -48.730
flat angles C4'-P-C4' energy: -58.536
flat angles P-C4'-P energy: -47.242
tors. eta vs tors. theta energy: -67.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -894.277487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.277487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.277487 (E_RNA)
where:
Base-Base interactions energy: -637.122
where: short stacking energy: -257.155
Base-Backbone interact. energy: 0.480
local terms energy: -257.635520
where:
bonds (distance) C4'-P energy: -44.323
bonds (distance) P-C4' energy: -49.218
flat angles C4'-P-C4' energy: -58.819
flat angles P-C4'-P energy: -37.938
tors. eta vs tors. theta energy: -67.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -834.658052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.658052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.658052 (E_RNA)
where:
Base-Base interactions energy: -576.299
where: short stacking energy: -246.674
Base-Backbone interact. energy: -3.022
local terms energy: -255.336857
where:
bonds (distance) C4'-P energy: -45.374
bonds (distance) P-C4' energy: -52.686
flat angles C4'-P-C4' energy: -55.685
flat angles P-C4'-P energy: -37.193
tors. eta vs tors. theta energy: -64.398
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: 3
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -833.521704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.521704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.521704 (E_RNA)
where:
Base-Base interactions energy: -571.324
where: short stacking energy: -252.631
Base-Backbone interact. energy: -1.940
local terms energy: -260.257890
where:
bonds (distance) C4'-P energy: -50.719
bonds (distance) P-C4' energy: -48.342
flat angles C4'-P-C4' energy: -58.198
flat angles P-C4'-P energy: -37.326
tors. eta vs tors. theta energy: -65.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -743.297246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.297246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.297246 (E_RNA)
where:
Base-Base interactions energy: -502.582
where: short stacking energy: -216.616
Base-Backbone interact. energy: -0.684
local terms energy: -240.030999
where:
bonds (distance) C4'-P energy: -49.205
bonds (distance) P-C4' energy: -49.941
flat angles C4'-P-C4' energy: -52.661
flat angles P-C4'-P energy: -34.057
tors. eta vs tors. theta energy: -54.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -687.245895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.245895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.245895 (E_RNA)
where:
Base-Base interactions energy: -446.020
where: short stacking energy: -207.232
Base-Backbone interact. energy: -0.596
local terms energy: -240.629329
where:
bonds (distance) C4'-P energy: -42.356
bonds (distance) P-C4' energy: -50.849
flat angles C4'-P-C4' energy: -57.578
flat angles P-C4'-P energy: -33.965
tors. eta vs tors. theta energy: -55.880
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: 2
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -572.838337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.838337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.838337 (E_RNA)
where:
Base-Base interactions energy: -386.225
where: short stacking energy: -169.375
Base-Backbone interact. energy: -1.041
local terms energy: -185.572598
where:
bonds (distance) C4'-P energy: -43.228
bonds (distance) P-C4' energy: -34.440
flat angles C4'-P-C4' energy: -47.780
flat angles P-C4'-P energy: -28.120
tors. eta vs tors. theta energy: -32.004
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: 7
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -576.842421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.842421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.842421 (E_RNA)
where:
Base-Base interactions energy: -359.837
where: short stacking energy: -154.638
Base-Backbone interact. energy: -1.657
local terms energy: -215.348120
where:
bonds (distance) C4'-P energy: -44.927
bonds (distance) P-C4' energy: -45.344
flat angles C4'-P-C4' energy: -52.973
flat angles P-C4'-P energy: -32.120
tors. eta vs tors. theta energy: -39.983
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: 9, replica: 10
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -363.641455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.641455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.641455 (E_RNA)
where:
Base-Base interactions energy: -173.482
where: short stacking energy: -96.186
Base-Backbone interact. energy: 0.162
local terms energy: -190.321393
where:
bonds (distance) C4'-P energy: -52.427
bonds (distance) P-C4' energy: -53.150
flat angles C4'-P-C4' energy: -42.137
flat angles P-C4'-P energy: -20.377
tors. eta vs tors. theta energy: -22.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -231.430202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.430202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.430202 (E_RNA)
where:
Base-Base interactions energy: -90.287
where: short stacking energy: -67.127
Base-Backbone interact. energy: 0.242
local terms energy: -141.386153
where:
bonds (distance) C4'-P energy: -40.535
bonds (distance) P-C4' energy: -52.531
flat angles C4'-P-C4' energy: -38.399
flat angles P-C4'-P energy: -24.285
tors. eta vs tors. theta energy: 14.365
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: 5
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -912.967973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.967973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.967973 (E_RNA)
where:
Base-Base interactions energy: -633.539
where: short stacking energy: -273.737
Base-Backbone interact. energy: -0.394
local terms energy: -279.035518
where:
bonds (distance) C4'-P energy: -48.610
bonds (distance) P-C4' energy: -58.886
flat angles C4'-P-C4' energy: -62.015
flat angles P-C4'-P energy: -36.916
tors. eta vs tors. theta energy: -72.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -906.999923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.999923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.999923 (E_RNA)
where:
Base-Base interactions energy: -634.694
where: short stacking energy: -263.373
Base-Backbone interact. energy: -0.922
local terms energy: -271.384366
where:
bonds (distance) C4'-P energy: -51.156
bonds (distance) P-C4' energy: -57.998
flat angles C4'-P-C4' energy: -53.703
flat angles P-C4'-P energy: -44.856
tors. eta vs tors. theta energy: -63.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -871.166400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.166400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.166400 (E_RNA)
where:
Base-Base interactions energy: -605.310
where: short stacking energy: -270.180
Base-Backbone interact. energy: -0.683
local terms energy: -265.173486
where:
bonds (distance) C4'-P energy: -51.209
bonds (distance) P-C4' energy: -46.265
flat angles C4'-P-C4' energy: -58.744
flat angles P-C4'-P energy: -32.925
tors. eta vs tors. theta energy: -76.032
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: 4, replica: 3
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -801.484224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.484224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.484224 (E_RNA)
where:
Base-Base interactions energy: -540.861
where: short stacking energy: -244.435
Base-Backbone interact. energy: 1.129
local terms energy: -261.752153
where:
bonds (distance) C4'-P energy: -50.945
bonds (distance) P-C4' energy: -53.047
flat angles C4'-P-C4' energy: -50.643
flat angles P-C4'-P energy: -32.930
tors. eta vs tors. theta energy: -74.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -754.995857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.995857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.995857 (E_RNA)
where:
Base-Base interactions energy: -514.494
where: short stacking energy: -233.146
Base-Backbone interact. energy: -0.937
local terms energy: -239.564530
where:
bonds (distance) C4'-P energy: -41.332
bonds (distance) P-C4' energy: -46.837
flat angles C4'-P-C4' energy: -55.950
flat angles P-C4'-P energy: -37.897
tors. eta vs tors. theta energy: -57.548
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: 8
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -660.547068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.547068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.547068 (E_RNA)
where:
Base-Base interactions energy: -425.025
where: short stacking energy: -192.022
Base-Backbone interact. energy: -0.243
local terms energy: -235.279121
where:
bonds (distance) C4'-P energy: -48.972
bonds (distance) P-C4' energy: -52.680
flat angles C4'-P-C4' energy: -53.875
flat angles P-C4'-P energy: -33.361
tors. eta vs tors. theta energy: -46.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -593.939552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.939552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.939552 (E_RNA)
where:
Base-Base interactions energy: -391.650
where: short stacking energy: -176.409
Base-Backbone interact. energy: 1.019
local terms energy: -203.308200
where:
bonds (distance) C4'-P energy: -52.276
bonds (distance) P-C4' energy: -44.674
flat angles C4'-P-C4' energy: -42.455
flat angles P-C4'-P energy: -34.479
tors. eta vs tors. theta energy: -29.425
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: 2
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -563.591669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.591669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.591669 (E_RNA)
where:
Base-Base interactions energy: -378.913
where: short stacking energy: -149.362
Base-Backbone interact. energy: -0.441
local terms energy: -184.238521
where:
bonds (distance) C4'-P energy: -39.728
bonds (distance) P-C4' energy: -41.528
flat angles C4'-P-C4' energy: -44.731
flat angles P-C4'-P energy: -34.476
tors. eta vs tors. theta energy: -23.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -366.741009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.741009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.741009 (E_RNA)
where:
Base-Base interactions energy: -209.563
where: short stacking energy: -107.498
Base-Backbone interact. energy: -0.051
local terms energy: -157.127498
where:
bonds (distance) C4'-P energy: -40.889
bonds (distance) P-C4' energy: -46.064
flat angles C4'-P-C4' energy: -44.767
flat angles P-C4'-P energy: -13.993
tors. eta vs tors. theta energy: -11.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -281.435467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.435467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.435467 (E_RNA)
where:
Base-Base interactions energy: -140.813
where: short stacking energy: -63.532
Base-Backbone interact. energy: 4.196
local terms energy: -144.818539
where:
bonds (distance) C4'-P energy: -40.815
bonds (distance) P-C4' energy: -46.795
flat angles C4'-P-C4' energy: -37.690
flat angles P-C4'-P energy: -23.221
tors. eta vs tors. theta energy: 3.703
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: 1, replica: 5
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -920.538449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.538449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.538449 (E_RNA)
where:
Base-Base interactions energy: -625.994
where: short stacking energy: -276.342
Base-Backbone interact. energy: -1.641
local terms energy: -292.903700
where:
bonds (distance) C4'-P energy: -48.302
bonds (distance) P-C4' energy: -58.311
flat angles C4'-P-C4' energy: -66.140
flat angles P-C4'-P energy: -39.764
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: 2, replica: 1
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -903.854933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.854933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.854933 (E_RNA)
where:
Base-Base interactions energy: -632.129
where: short stacking energy: -264.224
Base-Backbone interact. energy: -1.235
local terms energy: -270.491120
where:
bonds (distance) C4'-P energy: -50.586
bonds (distance) P-C4' energy: -51.706
flat angles C4'-P-C4' energy: -55.303
flat angles P-C4'-P energy: -40.323
tors. eta vs tors. theta energy: -72.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -850.031218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.031218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.031218 (E_RNA)
where:
Base-Base interactions energy: -579.595
where: short stacking energy: -269.139
Base-Backbone interact. energy: 0.433
local terms energy: -270.869300
where:
bonds (distance) C4'-P energy: -51.392
bonds (distance) P-C4' energy: -51.610
flat angles C4'-P-C4' energy: -55.426
flat angles P-C4'-P energy: -38.495
tors. eta vs tors. theta energy: -73.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -792.187710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.187710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.187710 (E_RNA)
where:
Base-Base interactions energy: -543.693
where: short stacking energy: -230.829
Base-Backbone interact. energy: -0.952
local terms energy: -247.542735
where:
bonds (distance) C4'-P energy: -47.662
bonds (distance) P-C4' energy: -42.056
flat angles C4'-P-C4' energy: -58.877
flat angles P-C4'-P energy: -36.707
tors. eta vs tors. theta energy: -62.240
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: 6
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -752.072184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.072184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.072184 (E_RNA)
where:
Base-Base interactions energy: -509.943
where: short stacking energy: -208.180
Base-Backbone interact. energy: -0.170
local terms energy: -241.959751
where:
bonds (distance) C4'-P energy: -45.266
bonds (distance) P-C4' energy: -53.216
flat angles C4'-P-C4' energy: -52.129
flat angles P-C4'-P energy: -33.414
tors. eta vs tors. theta energy: -57.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -662.880243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.880243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.880243 (E_RNA)
where:
Base-Base interactions energy: -444.654
where: short stacking energy: -200.533
Base-Backbone interact. energy: -0.829
local terms energy: -217.397213
where:
bonds (distance) C4'-P energy: -43.108
bonds (distance) P-C4' energy: -50.340
flat angles C4'-P-C4' energy: -47.269
flat angles P-C4'-P energy: -30.297
tors. eta vs tors. theta energy: -46.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -603.585742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.585742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.585742 (E_RNA)
where:
Base-Base interactions energy: -392.546
where: short stacking energy: -189.147
Base-Backbone interact. energy: 3.036
local terms energy: -214.075351
where:
bonds (distance) C4'-P energy: -48.244
bonds (distance) P-C4' energy: -44.369
flat angles C4'-P-C4' energy: -46.889
flat angles P-C4'-P energy: -29.512
tors. eta vs tors. theta energy: -45.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -566.017882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.017882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.017882 (E_RNA)
where:
Base-Base interactions energy: -373.067
where: short stacking energy: -165.458
Base-Backbone interact. energy: -1.665
local terms energy: -191.286328
where:
bonds (distance) C4'-P energy: -39.797
bonds (distance) P-C4' energy: -38.248
flat angles C4'-P-C4' energy: -43.414
flat angles P-C4'-P energy: -35.594
tors. eta vs tors. theta energy: -34.234
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: 10
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -359.079823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.079823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.079823 (E_RNA)
where:
Base-Base interactions energy: -186.228
where: short stacking energy: -97.923
Base-Backbone interact. energy: -1.104
local terms energy: -171.748077
where:
bonds (distance) C4'-P energy: -41.229
bonds (distance) P-C4' energy: -53.000
flat angles C4'-P-C4' energy: -39.290
flat angles P-C4'-P energy: -20.061
tors. eta vs tors. theta energy: -18.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -238.130814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.130814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.130814 (E_RNA)
where:
Base-Base interactions energy: -101.992
where: short stacking energy: -74.727
Base-Backbone interact. energy: 2.156
local terms energy: -138.294678
where:
bonds (distance) C4'-P energy: -47.384
bonds (distance) P-C4' energy: -43.140
flat angles C4'-P-C4' energy: -36.051
flat angles P-C4'-P energy: -13.121
tors. eta vs tors. theta energy: 1.402
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: 1
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -902.571512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.571512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.571512 (E_RNA)
where:
Base-Base interactions energy: -616.549
where: short stacking energy: -258.979
Base-Backbone interact. energy: -0.534
local terms energy: -285.488897
where:
bonds (distance) C4'-P energy: -57.640
bonds (distance) P-C4' energy: -54.567
flat angles C4'-P-C4' energy: -56.613
flat angles P-C4'-P energy: -43.453
tors. eta vs tors. theta energy: -73.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -913.315719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.315719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.315719 (E_RNA)
where:
Base-Base interactions energy: -636.250
where: short stacking energy: -260.921
Base-Backbone interact. energy: 1.340
local terms energy: -278.406068
where:
bonds (distance) C4'-P energy: -51.745
bonds (distance) P-C4' energy: -53.053
flat angles C4'-P-C4' energy: -61.063
flat angles P-C4'-P energy: -35.744
tors. eta vs tors. theta energy: -76.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -802.844342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.844342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.844342 (E_RNA)
where:
Base-Base interactions energy: -552.850
where: short stacking energy: -248.028
Base-Backbone interact. energy: -1.275
local terms energy: -248.719775
where:
bonds (distance) C4'-P energy: -51.510
bonds (distance) P-C4' energy: -48.319
flat angles C4'-P-C4' energy: -48.168
flat angles P-C4'-P energy: -35.235
tors. eta vs tors. theta energy: -65.488
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: 4, replica: 4
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -831.826670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.826670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.826670 (E_RNA)
where:
Base-Base interactions energy: -551.608
where: short stacking energy: -253.304
Base-Backbone interact. energy: -0.653
local terms energy: -279.565638
where:
bonds (distance) C4'-P energy: -52.591
bonds (distance) P-C4' energy: -54.540
flat angles C4'-P-C4' energy: -55.874
flat angles P-C4'-P energy: -44.119
tors. eta vs tors. theta energy: -72.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -752.359390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.359390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.359390 (E_RNA)
where:
Base-Base interactions energy: -515.054
where: short stacking energy: -218.392
Base-Backbone interact. energy: -1.056
local terms energy: -236.249503
where:
bonds (distance) C4'-P energy: -44.322
bonds (distance) P-C4' energy: -45.630
flat angles C4'-P-C4' energy: -54.670
flat angles P-C4'-P energy: -33.596
tors. eta vs tors. theta energy: -58.032
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: 6, replica: 8
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -660.621565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.621565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.621565 (E_RNA)
where:
Base-Base interactions energy: -438.957
where: short stacking energy: -199.552
Base-Backbone interact. energy: -0.375
local terms energy: -221.289848
where:
bonds (distance) C4'-P energy: -39.054
bonds (distance) P-C4' energy: -46.423
flat angles C4'-P-C4' energy: -48.774
flat angles P-C4'-P energy: -37.370
tors. eta vs tors. theta energy: -49.670
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: 7
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -619.273727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.273727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.273727 (E_RNA)
where:
Base-Base interactions energy: -410.032
where: short stacking energy: -188.316
Base-Backbone interact. energy: -0.134
local terms energy: -209.107926
where:
bonds (distance) C4'-P energy: -44.980
bonds (distance) P-C4' energy: -39.185
flat angles C4'-P-C4' energy: -47.679
flat angles P-C4'-P energy: -28.894
tors. eta vs tors. theta energy: -48.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -580.277653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.277653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.277653 (E_RNA)
where:
Base-Base interactions energy: -386.952
where: short stacking energy: -163.327
Base-Backbone interact. energy: -0.829
local terms energy: -192.496722
where:
bonds (distance) C4'-P energy: -49.441
bonds (distance) P-C4' energy: -45.595
flat angles C4'-P-C4' energy: -45.634
flat angles P-C4'-P energy: -22.940
tors. eta vs tors. theta energy: -28.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -392.036564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.036564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.036564 (E_RNA)
where:
Base-Base interactions energy: -217.454
where: short stacking energy: -128.313
Base-Backbone interact. energy: 1.180
local terms energy: -175.763343
where:
bonds (distance) C4'-P energy: -50.428
bonds (distance) P-C4' energy: -42.614
flat angles C4'-P-C4' energy: -44.862
flat angles P-C4'-P energy: -17.709
tors. eta vs tors. theta energy: -20.150
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: 9
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -219.919052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.919052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.919052 (E_RNA)
where:
Base-Base interactions energy: -106.367
where: short stacking energy: -58.826
Base-Backbone interact. energy: -0.089
local terms energy: -113.463200
where:
bonds (distance) C4'-P energy: -37.814
bonds (distance) P-C4' energy: -32.673
flat angles C4'-P-C4' energy: -40.040
flat angles P-C4'-P energy: -3.554
tors. eta vs tors. theta energy: 0.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -920.897531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.897531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.897531 (E_RNA)
where:
Base-Base interactions energy: -635.207
where: short stacking energy: -254.072
Base-Backbone interact. energy: -2.868
local terms energy: -282.822769
where:
bonds (distance) C4'-P energy: -55.089
bonds (distance) P-C4' energy: -56.199
flat angles C4'-P-C4' energy: -58.754
flat angles P-C4'-P energy: -41.310
tors. eta vs tors. theta energy: -71.471
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: 5
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -898.874224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.874224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.874224 (E_RNA)
where:
Base-Base interactions energy: -624.764
where: short stacking energy: -271.098
Base-Backbone interact. energy: -0.084
local terms energy: -274.026288
where:
bonds (distance) C4'-P energy: -55.486
bonds (distance) P-C4' energy: -50.172
flat angles C4'-P-C4' energy: -61.694
flat angles P-C4'-P energy: -33.099
tors. eta vs tors. theta energy: -73.575
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: 3
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -812.600732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.600732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.600732 (E_RNA)
where:
Base-Base interactions energy: -539.834
where: short stacking energy: -227.973
Base-Backbone interact. energy: -1.577
local terms energy: -271.189927
where:
bonds (distance) C4'-P energy: -50.295
bonds (distance) P-C4' energy: -58.381
flat angles C4'-P-C4' energy: -56.174
flat angles P-C4'-P energy: -45.132
tors. eta vs tors. theta energy: -61.209
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: 4, replica: 4
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -814.593619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.593619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.593619 (E_RNA)
where:
Base-Base interactions energy: -576.813
where: short stacking energy: -224.053
Base-Backbone interact. energy: 0.491
local terms energy: -238.271886
where:
bonds (distance) C4'-P energy: -40.546
bonds (distance) P-C4' energy: -44.078
flat angles C4'-P-C4' energy: -59.056
flat angles P-C4'-P energy: -31.551
tors. eta vs tors. theta energy: -63.040
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: 5, replica: 6
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -759.115114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.115114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.115114 (E_RNA)
where:
Base-Base interactions energy: -515.618
where: short stacking energy: -226.318
Base-Backbone interact. energy: -0.258
local terms energy: -243.238833
where:
bonds (distance) C4'-P energy: -38.225
bonds (distance) P-C4' energy: -44.595
flat angles C4'-P-C4' energy: -51.340
flat angles P-C4'-P energy: -42.212
tors. eta vs tors. theta energy: -66.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -691.807113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.807113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.807113 (E_RNA)
where:
Base-Base interactions energy: -452.816
where: short stacking energy: -208.266
Base-Backbone interact. energy: 1.251
local terms energy: -240.241989
where:
bonds (distance) C4'-P energy: -54.070
bonds (distance) P-C4' energy: -45.113
flat angles C4'-P-C4' energy: -56.289
flat angles P-C4'-P energy: -31.451
tors. eta vs tors. theta energy: -53.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -621.955243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.955243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.955243 (E_RNA)
where:
Base-Base interactions energy: -408.208
where: short stacking energy: -183.247
Base-Backbone interact. energy: -2.586
local terms energy: -211.161296
where:
bonds (distance) C4'-P energy: -39.730
bonds (distance) P-C4' energy: -44.152
flat angles C4'-P-C4' energy: -50.766
flat angles P-C4'-P energy: -33.063
tors. eta vs tors. theta energy: -43.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -579.539895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.539895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.539895 (E_RNA)
where:
Base-Base interactions energy: -366.555
where: short stacking energy: -163.961
Base-Backbone interact. energy: -1.307
local terms energy: -211.677231
where:
bonds (distance) C4'-P energy: -49.052
bonds (distance) P-C4' energy: -45.893
flat angles C4'-P-C4' energy: -51.052
flat angles P-C4'-P energy: -34.052
tors. eta vs tors. theta energy: -31.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -391.435842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.435842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.435842 (E_RNA)
where:
Base-Base interactions energy: -225.205
where: short stacking energy: -110.279
Base-Backbone interact. energy: 0.320
local terms energy: -166.550513
where:
bonds (distance) C4'-P energy: -41.564
bonds (distance) P-C4' energy: -38.552
flat angles C4'-P-C4' energy: -47.583
flat angles P-C4'-P energy: -23.835
tors. eta vs tors. theta energy: -15.017
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: 9
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -257.939678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.939678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.939678 (E_RNA)
where:
Base-Base interactions energy: -113.340
where: short stacking energy: -94.151
Base-Backbone interact. energy: 1.932
local terms energy: -146.531503
where:
bonds (distance) C4'-P energy: -39.840
bonds (distance) P-C4' energy: -43.829
flat angles C4'-P-C4' energy: -39.399
flat angles P-C4'-P energy: -19.395
tors. eta vs tors. theta energy: -4.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -919.964263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.964263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.964263 (E_RNA)
where:
Base-Base interactions energy: -654.642
where: short stacking energy: -248.040
Base-Backbone interact. energy: 1.275
local terms energy: -266.596967
where:
bonds (distance) C4'-P energy: -51.267
bonds (distance) P-C4' energy: -48.438
flat angles C4'-P-C4' energy: -57.091
flat angles P-C4'-P energy: -42.008
tors. eta vs tors. theta energy: -67.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -892.660967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.660967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.660967 (E_RNA)
where:
Base-Base interactions energy: -629.985
where: short stacking energy: -273.661
Base-Backbone interact. energy: -0.561
local terms energy: -262.115232
where:
bonds (distance) C4'-P energy: -48.179
bonds (distance) P-C4' energy: -45.903
flat angles C4'-P-C4' energy: -58.127
flat angles P-C4'-P energy: -36.642
tors. eta vs tors. theta energy: -73.264
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: 3, replica: 4
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -842.870942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.870942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.870942 (E_RNA)
where:
Base-Base interactions energy: -575.753
where: short stacking energy: -245.658
Base-Backbone interact. energy: 0.273
local terms energy: -267.391045
where:
bonds (distance) C4'-P energy: -50.338
bonds (distance) P-C4' energy: -42.277
flat angles C4'-P-C4' energy: -61.048
flat angles P-C4'-P energy: -43.669
tors. eta vs tors. theta energy: -70.058
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: 3
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -791.813532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.813532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.813532 (E_RNA)
where:
Base-Base interactions energy: -540.633
where: short stacking energy: -250.240
Base-Backbone interact. energy: 0.021
local terms energy: -251.201023
where:
bonds (distance) C4'-P energy: -43.069
bonds (distance) P-C4' energy: -49.823
flat angles C4'-P-C4' energy: -54.253
flat angles P-C4'-P energy: -34.704
tors. eta vs tors. theta energy: -69.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -745.080185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.080185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.080185 (E_RNA)
where:
Base-Base interactions energy: -500.029
where: short stacking energy: -210.930
Base-Backbone interact. energy: 0.555
local terms energy: -245.605819
where:
bonds (distance) C4'-P energy: -53.408
bonds (distance) P-C4' energy: -57.332
flat angles C4'-P-C4' energy: -50.145
flat angles P-C4'-P energy: -36.624
tors. eta vs tors. theta energy: -48.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -702.781597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.781597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.781597 (E_RNA)
where:
Base-Base interactions energy: -467.593
where: short stacking energy: -204.791
Base-Backbone interact. energy: 0.310
local terms energy: -235.498748
where:
bonds (distance) C4'-P energy: -39.838
bonds (distance) P-C4' energy: -51.953
flat angles C4'-P-C4' energy: -51.631
flat angles P-C4'-P energy: -34.080
tors. eta vs tors. theta energy: -57.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -601.149136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.149136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.149136 (E_RNA)
where:
Base-Base interactions energy: -398.478
where: short stacking energy: -175.869
Base-Backbone interact. energy: -0.806
local terms energy: -201.864572
where:
bonds (distance) C4'-P energy: -40.566
bonds (distance) P-C4' energy: -43.625
flat angles C4'-P-C4' energy: -43.970
flat angles P-C4'-P energy: -24.381
tors. eta vs tors. theta energy: -49.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -573.562270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.562270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.562270 (E_RNA)
where:
Base-Base interactions energy: -375.849
where: short stacking energy: -177.261
Base-Backbone interact. energy: -0.279
local terms energy: -197.434249
where:
bonds (distance) C4'-P energy: -39.702
bonds (distance) P-C4' energy: -42.391
flat angles C4'-P-C4' energy: -42.203
flat angles P-C4'-P energy: -31.525
tors. eta vs tors. theta energy: -41.614
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: 10
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -384.462036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.462036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.462036 (E_RNA)
where:
Base-Base interactions energy: -213.519
where: short stacking energy: -100.307
Base-Backbone interact. energy: 0.253
local terms energy: -171.195162
where:
bonds (distance) C4'-P energy: -53.066
bonds (distance) P-C4' energy: -39.158
flat angles C4'-P-C4' energy: -40.893
flat angles P-C4'-P energy: -27.067
tors. eta vs tors. theta energy: -11.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -228.101615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.101615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.101615 (E_RNA)
where:
Base-Base interactions energy: -84.238
where: short stacking energy: -72.465
Base-Backbone interact. energy: -1.581
local terms energy: -142.282864
where:
bonds (distance) C4'-P energy: -35.417
bonds (distance) P-C4' energy: -46.653
flat angles C4'-P-C4' energy: -42.184
flat angles P-C4'-P energy: -20.986
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: 141
Temperature: 0.900000
Total energy: -923.373253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.373253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.373253 (E_RNA)
where:
Base-Base interactions energy: -645.093
where: short stacking energy: -255.928
Base-Backbone interact. energy: -1.629
local terms energy: -276.651708
where:
bonds (distance) C4'-P energy: -48.315
bonds (distance) P-C4' energy: -54.197
flat angles C4'-P-C4' energy: -60.609
flat angles P-C4'-P energy: -42.093
tors. eta vs tors. theta energy: -71.438
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: 141
Temperature: 0.950000
Total energy: -880.283545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.283545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.283545 (E_RNA)
where:
Base-Base interactions energy: -603.267
where: short stacking energy: -254.912
Base-Backbone interact. energy: -1.630
local terms energy: -275.386056
where:
bonds (distance) C4'-P energy: -51.228
bonds (distance) P-C4' energy: -53.375
flat angles C4'-P-C4' energy: -57.850
flat angles P-C4'-P energy: -40.399
tors. eta vs tors. theta energy: -72.535
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: 4
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -850.832768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.832768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.832768 (E_RNA)
where:
Base-Base interactions energy: -594.105
where: short stacking energy: -257.153
Base-Backbone interact. energy: -0.539
local terms energy: -256.188572
where:
bonds (distance) C4'-P energy: -46.332
bonds (distance) P-C4' energy: -46.733
flat angles C4'-P-C4' energy: -54.971
flat angles P-C4'-P energy: -33.990
tors. eta vs tors. theta energy: -74.164
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: 3
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -792.760967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.760967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.760967 (E_RNA)
where:
Base-Base interactions energy: -540.840
where: short stacking energy: -234.435
Base-Backbone interact. energy: 1.070
local terms energy: -252.991006
where:
bonds (distance) C4'-P energy: -43.349
bonds (distance) P-C4' energy: -47.840
flat angles C4'-P-C4' energy: -50.771
flat angles P-C4'-P energy: -44.386
tors. eta vs tors. theta energy: -66.645
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: 5, replica: 6
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -767.248242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.248242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.248242 (E_RNA)
where:
Base-Base interactions energy: -511.405
where: short stacking energy: -219.620
Base-Backbone interact. energy: -0.135
local terms energy: -255.708203
where:
bonds (distance) C4'-P energy: -47.746
bonds (distance) P-C4' energy: -53.362
flat angles C4'-P-C4' energy: -59.453
flat angles P-C4'-P energy: -42.515
tors. eta vs tors. theta energy: -52.633
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: 8
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -666.178504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.178504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.178504 (E_RNA)
where:
Base-Base interactions energy: -440.298
where: short stacking energy: -193.198
Base-Backbone interact. energy: 2.528
local terms energy: -228.408845
where:
bonds (distance) C4'-P energy: -53.787
bonds (distance) P-C4' energy: -49.057
flat angles C4'-P-C4' energy: -49.358
flat angles P-C4'-P energy: -39.410
tors. eta vs tors. theta energy: -36.797
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: 7, replica: 7
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -599.668536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.668536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.668536 (E_RNA)
where:
Base-Base interactions energy: -384.655
where: short stacking energy: -187.160
Base-Backbone interact. energy: -0.688
local terms energy: -214.325278
where:
bonds (distance) C4'-P energy: -33.307
bonds (distance) P-C4' energy: -41.607
flat angles C4'-P-C4' energy: -56.290
flat angles P-C4'-P energy: -35.950
tors. eta vs tors. theta energy: -47.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -500.767899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.767899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.767899 (E_RNA)
where:
Base-Base interactions energy: -323.643
where: short stacking energy: -123.062
Base-Backbone interact. energy: -1.209
local terms energy: -175.916668
where:
bonds (distance) C4'-P energy: -46.152
bonds (distance) P-C4' energy: -35.584
flat angles C4'-P-C4' energy: -46.961
flat angles P-C4'-P energy: -31.868
tors. eta vs tors. theta energy: -15.353
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: 9, replica: 10
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -399.972546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.972546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.972546 (E_RNA)
where:
Base-Base interactions energy: -238.644
where: short stacking energy: -109.477
Base-Backbone interact. energy: 2.918
local terms energy: -164.246727
where:
bonds (distance) C4'-P energy: -42.986
bonds (distance) P-C4' energy: -53.356
flat angles C4'-P-C4' energy: -37.068
flat angles P-C4'-P energy: -27.632
tors. eta vs tors. theta energy: -3.204
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: 10, replica: 9
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -223.953340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.953340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.953340 (E_RNA)
where:
Base-Base interactions energy: -89.417
where: short stacking energy: -58.371
Base-Backbone interact. energy: 5.908
local terms energy: -140.444269
where:
bonds (distance) C4'-P energy: -38.920
bonds (distance) P-C4' energy: -46.403
flat angles C4'-P-C4' energy: -36.561
flat angles P-C4'-P energy: -23.530
tors. eta vs tors. theta energy: 4.970
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: 1, replica: 1
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -927.743428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.743428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.743428 (E_RNA)
where:
Base-Base interactions energy: -643.915
where: short stacking energy: -264.534
Base-Backbone interact. energy: -1.487
local terms energy: -282.341772
where:
bonds (distance) C4'-P energy: -51.416
bonds (distance) P-C4' energy: -56.883
flat angles C4'-P-C4' energy: -62.624
flat angles P-C4'-P energy: -40.148
tors. eta vs tors. theta energy: -71.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -893.494972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.494972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.494972 (E_RNA)
where:
Base-Base interactions energy: -608.457
where: short stacking energy: -264.559
Base-Backbone interact. energy: -0.816
local terms energy: -284.222434
where:
bonds (distance) C4'-P energy: -52.196
bonds (distance) P-C4' energy: -56.187
flat angles C4'-P-C4' energy: -62.212
flat angles P-C4'-P energy: -36.554
tors. eta vs tors. theta energy: -77.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -852.104381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.104381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.104381 (E_RNA)
where:
Base-Base interactions energy: -579.471
where: short stacking energy: -239.380
Base-Backbone interact. energy: -0.395
local terms energy: -272.238676
where:
bonds (distance) C4'-P energy: -53.587
bonds (distance) P-C4' energy: -47.525
flat angles C4'-P-C4' energy: -62.393
flat angles P-C4'-P energy: -37.212
tors. eta vs tors. theta energy: -71.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -808.105280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.105280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.105280 (E_RNA)
where:
Base-Base interactions energy: -558.089
where: short stacking energy: -237.382
Base-Backbone interact. energy: -0.963
local terms energy: -249.053639
where:
bonds (distance) C4'-P energy: -54.846
bonds (distance) P-C4' energy: -42.604
flat angles C4'-P-C4' energy: -60.993
flat angles P-C4'-P energy: -32.772
tors. eta vs tors. theta energy: -57.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -757.139314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.139314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.139314 (E_RNA)
where:
Base-Base interactions energy: -541.041
where: short stacking energy: -221.750
Base-Backbone interact. energy: -1.083
local terms energy: -215.016029
where:
bonds (distance) C4'-P energy: -45.331
bonds (distance) P-C4' energy: -53.664
flat angles C4'-P-C4' energy: -41.609
flat angles P-C4'-P energy: -27.286
tors. eta vs tors. theta energy: -47.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -671.939781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.939781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.939781 (E_RNA)
where:
Base-Base interactions energy: -448.023
where: short stacking energy: -200.571
Base-Backbone interact. energy: -1.221
local terms energy: -222.696224
where:
bonds (distance) C4'-P energy: -44.939
bonds (distance) P-C4' energy: -44.933
flat angles C4'-P-C4' energy: -51.815
flat angles P-C4'-P energy: -29.592
tors. eta vs tors. theta energy: -51.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -620.535746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.535746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.535746 (E_RNA)
where:
Base-Base interactions energy: -392.629
where: short stacking energy: -182.810
Base-Backbone interact. energy: -1.870
local terms energy: -226.036103
where:
bonds (distance) C4'-P energy: -47.263
bonds (distance) P-C4' energy: -45.272
flat angles C4'-P-C4' energy: -52.489
flat angles P-C4'-P energy: -40.251
tors. eta vs tors. theta energy: -40.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -544.846094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.846094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.846094 (E_RNA)
where:
Base-Base interactions energy: -370.576
where: short stacking energy: -159.326
Base-Backbone interact. energy: 0.536
local terms energy: -174.805946
where:
bonds (distance) C4'-P energy: -29.375
bonds (distance) P-C4' energy: -41.925
flat angles C4'-P-C4' energy: -39.872
flat angles P-C4'-P energy: -25.442
tors. eta vs tors. theta energy: -38.191
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: 10
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -397.608133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.608133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.608133 (E_RNA)
where:
Base-Base interactions energy: -207.016
where: short stacking energy: -106.003
Base-Backbone interact. energy: 0.771
local terms energy: -191.363792
where:
bonds (distance) C4'-P energy: -43.314
bonds (distance) P-C4' energy: -51.561
flat angles C4'-P-C4' energy: -51.226
flat angles P-C4'-P energy: -30.894
tors. eta vs tors. theta energy: -14.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -225.602073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.602073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.602073 (E_RNA)
where:
Base-Base interactions energy: -75.665
where: short stacking energy: -64.761
Base-Backbone interact. energy: 0.759
local terms energy: -150.696703
where:
bonds (distance) C4'-P energy: -51.479
bonds (distance) P-C4' energy: -52.671
flat angles C4'-P-C4' energy: -27.845
flat angles P-C4'-P energy: -18.972
tors. eta vs tors. theta energy: 0.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -919.117682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.117682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.117682 (E_RNA)
where:
Base-Base interactions energy: -639.685
where: short stacking energy: -263.190
Base-Backbone interact. energy: -0.430
local terms energy: -279.001788
where:
bonds (distance) C4'-P energy: -55.652
bonds (distance) P-C4' energy: -48.045
flat angles C4'-P-C4' energy: -58.523
flat angles P-C4'-P energy: -42.523
tors. eta vs tors. theta energy: -74.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -861.658142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.658142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.658142 (E_RNA)
where:
Base-Base interactions energy: -604.732
where: short stacking energy: -254.107
Base-Backbone interact. energy: -0.694
local terms energy: -256.232301
where:
bonds (distance) C4'-P energy: -45.546
bonds (distance) P-C4' energy: -48.100
flat angles C4'-P-C4' energy: -57.865
flat angles P-C4'-P energy: -37.833
tors. eta vs tors. theta energy: -66.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -850.163449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.163449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.163449 (E_RNA)
where:
Base-Base interactions energy: -583.814
where: short stacking energy: -268.898
Base-Backbone interact. energy: 0.832
local terms energy: -267.181073
where:
bonds (distance) C4'-P energy: -53.679
bonds (distance) P-C4' energy: -48.715
flat angles C4'-P-C4' energy: -50.435
flat angles P-C4'-P energy: -39.977
tors. eta vs tors. theta energy: -74.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -800.900196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.900196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.900196 (E_RNA)
where:
Base-Base interactions energy: -546.922
where: short stacking energy: -225.265
Base-Backbone interact. energy: -1.454
local terms energy: -252.523429
where:
bonds (distance) C4'-P energy: -43.937
bonds (distance) P-C4' energy: -52.888
flat angles C4'-P-C4' energy: -55.895
flat angles P-C4'-P energy: -40.601
tors. eta vs tors. theta energy: -59.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -718.823003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.823003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.823003 (E_RNA)
where:
Base-Base interactions energy: -488.004
where: short stacking energy: -205.641
Base-Backbone interact. energy: 0.380
local terms energy: -231.198605
where:
bonds (distance) C4'-P energy: -44.765
bonds (distance) P-C4' energy: -47.691
flat angles C4'-P-C4' energy: -56.609
flat angles P-C4'-P energy: -36.869
tors. eta vs tors. theta energy: -45.265
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: 7
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -668.294416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.294416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.294416 (E_RNA)
where:
Base-Base interactions energy: -436.073
where: short stacking energy: -208.841
Base-Backbone interact. energy: -1.780
local terms energy: -230.440899
where:
bonds (distance) C4'-P energy: -40.422
bonds (distance) P-C4' energy: -44.363
flat angles C4'-P-C4' energy: -48.526
flat angles P-C4'-P energy: -38.631
tors. eta vs tors. theta energy: -58.499
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: 8
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -647.426200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.426200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.426200 (E_RNA)
where:
Base-Base interactions energy: -421.310
where: short stacking energy: -180.190
Base-Backbone interact. energy: -1.512
local terms energy: -224.604015
where:
bonds (distance) C4'-P energy: -48.259
bonds (distance) P-C4' energy: -42.550
flat angles C4'-P-C4' energy: -51.087
flat angles P-C4'-P energy: -36.470
tors. eta vs tors. theta energy: -46.238
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: 2
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -592.490796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.490796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.490796 (E_RNA)
where:
Base-Base interactions energy: -374.413
where: short stacking energy: -178.236
Base-Backbone interact. energy: -2.132
local terms energy: -215.945940
where:
bonds (distance) C4'-P energy: -37.204
bonds (distance) P-C4' energy: -44.554
flat angles C4'-P-C4' energy: -56.248
flat angles P-C4'-P energy: -33.736
tors. eta vs tors. theta energy: -44.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -379.906208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.906208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.906208 (E_RNA)
where:
Base-Base interactions energy: -204.615
where: short stacking energy: -100.808
Base-Backbone interact. energy: -1.048
local terms energy: -174.243403
where:
bonds (distance) C4'-P energy: -50.488
bonds (distance) P-C4' energy: -44.568
flat angles C4'-P-C4' energy: -44.104
flat angles P-C4'-P energy: -20.656
tors. eta vs tors. theta energy: -14.427
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: 9
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -221.638185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.638185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.638185 (E_RNA)
where:
Base-Base interactions energy: -78.475
where: short stacking energy: -63.176
Base-Backbone interact. energy: -1.703
local terms energy: -141.460373
where:
bonds (distance) C4'-P energy: -41.823
bonds (distance) P-C4' energy: -46.161
flat angles C4'-P-C4' energy: -38.873
flat angles P-C4'-P energy: -18.884
tors. eta vs tors. theta energy: 4.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -914.055836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.055836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.055836 (E_RNA)
where:
Base-Base interactions energy: -642.971
where: short stacking energy: -264.214
Base-Backbone interact. energy: 4.319
local terms energy: -275.404129
where:
bonds (distance) C4'-P energy: -51.648
bonds (distance) P-C4' energy: -49.527
flat angles C4'-P-C4' energy: -61.668
flat angles P-C4'-P energy: -41.063
tors. eta vs tors. theta energy: -71.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -887.393784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.393784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.393784 (E_RNA)
where:
Base-Base interactions energy: -606.924
where: short stacking energy: -265.102
Base-Backbone interact. energy: -1.287
local terms energy: -279.182272
where:
bonds (distance) C4'-P energy: -44.477
bonds (distance) P-C4' energy: -56.929
flat angles C4'-P-C4' energy: -60.837
flat angles P-C4'-P energy: -36.168
tors. eta vs tors. theta energy: -80.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -855.892819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.892819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.892819 (E_RNA)
where:
Base-Base interactions energy: -586.937
where: short stacking energy: -255.991
Base-Backbone interact. energy: 1.872
local terms energy: -270.827977
where:
bonds (distance) C4'-P energy: -47.798
bonds (distance) P-C4' energy: -52.490
flat angles C4'-P-C4' energy: -60.116
flat angles P-C4'-P energy: -38.727
tors. eta vs tors. theta energy: -71.697
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: 3
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -826.788417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.788417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.788417 (E_RNA)
where:
Base-Base interactions energy: -569.832
where: short stacking energy: -257.921
Base-Backbone interact. energy: -2.144
local terms energy: -254.812665
where:
bonds (distance) C4'-P energy: -46.832
bonds (distance) P-C4' energy: -53.773
flat angles C4'-P-C4' energy: -51.130
flat angles P-C4'-P energy: -34.613
tors. eta vs tors. theta energy: -68.464
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: 7
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -692.388378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.388378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.388378 (E_RNA)
where:
Base-Base interactions energy: -466.936
where: short stacking energy: -203.731
Base-Backbone interact. energy: -3.648
local terms energy: -221.804004
where:
bonds (distance) C4'-P energy: -47.789
bonds (distance) P-C4' energy: -45.398
flat angles C4'-P-C4' energy: -48.384
flat angles P-C4'-P energy: -27.280
tors. eta vs tors. theta energy: -52.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -709.525199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.525199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.525199 (E_RNA)
where:
Base-Base interactions energy: -480.270
where: short stacking energy: -210.216
Base-Backbone interact. energy: -3.010
local terms energy: -226.245236
where:
bonds (distance) C4'-P energy: -51.374
bonds (distance) P-C4' energy: -50.388
flat angles C4'-P-C4' energy: -49.869
flat angles P-C4'-P energy: -30.659
tors. eta vs tors. theta energy: -43.956
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: 8
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -646.209525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.209525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.209525 (E_RNA)
where:
Base-Base interactions energy: -423.250
where: short stacking energy: -170.808
Base-Backbone interact. energy: 0.044
local terms energy: -223.004131
where:
bonds (distance) C4'-P energy: -52.280
bonds (distance) P-C4' energy: -47.979
flat angles C4'-P-C4' energy: -59.507
flat angles P-C4'-P energy: -28.811
tors. eta vs tors. theta energy: -34.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -584.055885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.055885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.055885 (E_RNA)
where:
Base-Base interactions energy: -386.575
where: short stacking energy: -176.027
Base-Backbone interact. energy: 0.910
local terms energy: -198.390735
where:
bonds (distance) C4'-P energy: -41.073
bonds (distance) P-C4' energy: -48.122
flat angles C4'-P-C4' energy: -45.658
flat angles P-C4'-P energy: -24.912
tors. eta vs tors. theta energy: -38.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -370.555470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.555470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.555470 (E_RNA)
where:
Base-Base interactions energy: -197.818
where: short stacking energy: -122.539
Base-Backbone interact. energy: -1.183
local terms energy: -171.554241
where:
bonds (distance) C4'-P energy: -39.737
bonds (distance) P-C4' energy: -38.896
flat angles C4'-P-C4' energy: -31.246
flat angles P-C4'-P energy: -30.490
tors. eta vs tors. theta energy: -31.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -227.233466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.233466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.233466 (E_RNA)
where:
Base-Base interactions energy: -84.667
where: short stacking energy: -74.394
Base-Backbone interact. energy: -1.006
local terms energy: -141.560128
where:
bonds (distance) C4'-P energy: -43.763
bonds (distance) P-C4' energy: -43.343
flat angles C4'-P-C4' energy: -41.228
flat angles P-C4'-P energy: -17.219
tors. eta vs tors. theta energy: 3.993
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: 1
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -910.244441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.244441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.244441 (E_RNA)
where:
Base-Base interactions energy: -647.070
where: short stacking energy: -277.662
Base-Backbone interact. energy: 0.950
local terms energy: -264.124591
where:
bonds (distance) C4'-P energy: -48.103
bonds (distance) P-C4' energy: -47.115
flat angles C4'-P-C4' energy: -59.865
flat angles P-C4'-P energy: -37.597
tors. eta vs tors. theta energy: -71.444
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: 4
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -873.711490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.711490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.711490 (E_RNA)
where:
Base-Base interactions energy: -599.047
where: short stacking energy: -258.958
Base-Backbone interact. energy: -1.279
local terms energy: -273.385171
where:
bonds (distance) C4'-P energy: -55.838
bonds (distance) P-C4' energy: -61.960
flat angles C4'-P-C4' energy: -46.545
flat angles P-C4'-P energy: -36.476
tors. eta vs tors. theta energy: -72.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -841.677053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.677053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.677053 (E_RNA)
where:
Base-Base interactions energy: -586.051
where: short stacking energy: -248.988
Base-Backbone interact. energy: 2.532
local terms energy: -258.157969
where:
bonds (distance) C4'-P energy: -45.018
bonds (distance) P-C4' energy: -47.242
flat angles C4'-P-C4' energy: -58.874
flat angles P-C4'-P energy: -34.776
tors. eta vs tors. theta energy: -72.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -835.452221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.452221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.452221 (E_RNA)
where:
Base-Base interactions energy: -572.118
where: short stacking energy: -243.819
Base-Backbone interact. energy: -1.840
local terms energy: -261.494060
where:
bonds (distance) C4'-P energy: -48.185
bonds (distance) P-C4' energy: -53.349
flat angles C4'-P-C4' energy: -62.587
flat angles P-C4'-P energy: -30.470
tors. eta vs tors. theta energy: -66.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -655.140005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.140005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.140005 (E_RNA)
where:
Base-Base interactions energy: -422.401
where: short stacking energy: -208.694
Base-Backbone interact. energy: -0.721
local terms energy: -232.017404
where:
bonds (distance) C4'-P energy: -49.738
bonds (distance) P-C4' energy: -42.709
flat angles C4'-P-C4' energy: -51.965
flat angles P-C4'-P energy: -34.830
tors. eta vs tors. theta energy: -52.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -686.335344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.335344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.335344 (E_RNA)
where:
Base-Base interactions energy: -463.976
where: short stacking energy: -203.335
Base-Backbone interact. energy: -0.971
local terms energy: -221.387741
where:
bonds (distance) C4'-P energy: -46.836
bonds (distance) P-C4' energy: -44.224
flat angles C4'-P-C4' energy: -48.991
flat angles P-C4'-P energy: -37.957
tors. eta vs tors. theta energy: -43.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -643.095721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.095721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.095721 (E_RNA)
where:
Base-Base interactions energy: -411.210
where: short stacking energy: -173.652
Base-Backbone interact. energy: -0.735
local terms energy: -231.150859
where:
bonds (distance) C4'-P energy: -48.743
bonds (distance) P-C4' energy: -52.651
flat angles C4'-P-C4' energy: -52.971
flat angles P-C4'-P energy: -40.315
tors. eta vs tors. theta energy: -36.471
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: 2
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -576.786087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.786087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.786087 (E_RNA)
where:
Base-Base interactions energy: -380.636
where: short stacking energy: -187.876
Base-Backbone interact. energy: -0.582
local terms energy: -195.567901
where:
bonds (distance) C4'-P energy: -43.093
bonds (distance) P-C4' energy: -42.534
flat angles C4'-P-C4' energy: -46.328
flat angles P-C4'-P energy: -27.406
tors. eta vs tors. theta energy: -36.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -326.207003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.207003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.207003 (E_RNA)
where:
Base-Base interactions energy: -169.859
where: short stacking energy: -101.702
Base-Backbone interact. energy: -1.883
local terms energy: -154.464321
where:
bonds (distance) C4'-P energy: -41.051
bonds (distance) P-C4' energy: -45.629
flat angles C4'-P-C4' energy: -45.446
flat angles P-C4'-P energy: -14.811
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: 10, replica: 9
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -222.748643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.748643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.748643 (E_RNA)
where:
Base-Base interactions energy: -62.046
where: short stacking energy: -56.785
Base-Backbone interact. energy: 0.116
local terms energy: -160.818221
where:
bonds (distance) C4'-P energy: -48.514
bonds (distance) P-C4' energy: -38.996
flat angles C4'-P-C4' energy: -45.335
flat angles P-C4'-P energy: -32.024
tors. eta vs tors. theta energy: 4.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -911.921067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.921067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.921067 (E_RNA)
where:
Base-Base interactions energy: -628.983
where: short stacking energy: -265.737
Base-Backbone interact. energy: 0.084
local terms energy: -283.021576
where:
bonds (distance) C4'-P energy: -49.883
bonds (distance) P-C4' energy: -61.781
flat angles C4'-P-C4' energy: -62.257
flat angles P-C4'-P energy: -37.442
tors. eta vs tors. theta energy: -71.658
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: 4
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -873.782969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.782969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.782969 (E_RNA)
where:
Base-Base interactions energy: -602.701
where: short stacking energy: -260.436
Base-Backbone interact. energy: -0.631
local terms energy: -270.451250
where:
bonds (distance) C4'-P energy: -51.956
bonds (distance) P-C4' energy: -51.236
flat angles C4'-P-C4' energy: -55.789
flat angles P-C4'-P energy: -40.205
tors. eta vs tors. theta energy: -71.264
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: 3, replica: 3
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -826.576766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.576766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.576766 (E_RNA)
where:
Base-Base interactions energy: -563.360
where: short stacking energy: -238.255
Base-Backbone interact. energy: -2.397
local terms energy: -260.819557
where:
bonds (distance) C4'-P energy: -49.248
bonds (distance) P-C4' energy: -51.491
flat angles C4'-P-C4' energy: -57.467
flat angles P-C4'-P energy: -37.101
tors. eta vs tors. theta energy: -65.513
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: 4, replica: 5
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -838.158219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.158219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.158219 (E_RNA)
where:
Base-Base interactions energy: -570.477
where: short stacking energy: -241.235
Base-Backbone interact. energy: -0.309
local terms energy: -267.372167
where:
bonds (distance) C4'-P energy: -52.262
bonds (distance) P-C4' energy: -51.326
flat angles C4'-P-C4' energy: -56.085
flat angles P-C4'-P energy: -44.130
tors. eta vs tors. theta energy: -63.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -682.502747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.502747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.502747 (E_RNA)
where:
Base-Base interactions energy: -443.971
where: short stacking energy: -192.434
Base-Backbone interact. energy: -1.292
local terms energy: -237.239815
where:
bonds (distance) C4'-P energy: -56.504
bonds (distance) P-C4' energy: -58.149
flat angles C4'-P-C4' energy: -49.200
flat angles P-C4'-P energy: -33.767
tors. eta vs tors. theta energy: -39.619
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: 6, replica: 7
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -630.178796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.178796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.178796 (E_RNA)
where:
Base-Base interactions energy: -410.416
where: short stacking energy: -200.959
Base-Backbone interact. energy: 0.372
local terms energy: -220.135503
where:
bonds (distance) C4'-P energy: -41.826
bonds (distance) P-C4' energy: -47.675
flat angles C4'-P-C4' energy: -51.423
flat angles P-C4'-P energy: -41.355
tors. eta vs tors. theta energy: -37.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -650.532748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.532748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.532748 (E_RNA)
where:
Base-Base interactions energy: -430.233
where: short stacking energy: -193.350
Base-Backbone interact. energy: -0.790
local terms energy: -219.509774
where:
bonds (distance) C4'-P energy: -42.956
bonds (distance) P-C4' energy: -46.486
flat angles C4'-P-C4' energy: -52.425
flat angles P-C4'-P energy: -27.945
tors. eta vs tors. theta energy: -49.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -604.175838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.175838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.175838 (E_RNA)
where:
Base-Base interactions energy: -398.151
where: short stacking energy: -196.677
Base-Backbone interact. energy: -0.584
local terms energy: -205.440810
where:
bonds (distance) C4'-P energy: -41.668
bonds (distance) P-C4' energy: -43.414
flat angles C4'-P-C4' energy: -51.426
flat angles P-C4'-P energy: -25.765
tors. eta vs tors. theta energy: -43.168
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: 10
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -318.737032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.737032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.737032 (E_RNA)
where:
Base-Base interactions energy: -153.265
where: short stacking energy: -102.714
Base-Backbone interact. energy: 1.214
local terms energy: -166.686526
where:
bonds (distance) C4'-P energy: -44.312
bonds (distance) P-C4' energy: -44.687
flat angles C4'-P-C4' energy: -35.482
flat angles P-C4'-P energy: -26.118
tors. eta vs tors. theta energy: -16.089
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: 10, replica: 9
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -236.765779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.765779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.765779 (E_RNA)
where:
Base-Base interactions energy: -102.484
where: short stacking energy: -92.208
Base-Backbone interact. energy: 0.708
local terms energy: -134.989899
where:
bonds (distance) C4'-P energy: -36.701
bonds (distance) P-C4' energy: -36.267
flat angles C4'-P-C4' energy: -37.346
flat angles P-C4'-P energy: -22.168
tors. eta vs tors. theta energy: -2.508
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: 1
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -911.487773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.487773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.487773 (E_RNA)
where:
Base-Base interactions energy: -629.197
where: short stacking energy: -278.592
Base-Backbone interact. energy: -2.075
local terms energy: -280.214925
where:
bonds (distance) C4'-P energy: -50.677
bonds (distance) P-C4' energy: -56.972
flat angles C4'-P-C4' energy: -53.527
flat angles P-C4'-P energy: -44.501
tors. eta vs tors. theta energy: -74.538
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: 2, replica: 4
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -874.130531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.130531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.130531 (E_RNA)
where:
Base-Base interactions energy: -609.332
where: short stacking energy: -263.706
Base-Backbone interact. energy: -1.347
local terms energy: -263.451958
where:
bonds (distance) C4'-P energy: -41.821
bonds (distance) P-C4' energy: -54.778
flat angles C4'-P-C4' energy: -61.667
flat angles P-C4'-P energy: -36.747
tors. eta vs tors. theta energy: -68.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -810.837248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.837248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.837248 (E_RNA)
where:
Base-Base interactions energy: -549.462
where: short stacking energy: -241.490
Base-Backbone interact. energy: 2.304
local terms energy: -263.678930
where:
bonds (distance) C4'-P energy: -51.561
bonds (distance) P-C4' energy: -51.770
flat angles C4'-P-C4' energy: -53.623
flat angles P-C4'-P energy: -41.076
tors. eta vs tors. theta energy: -65.649
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: 5
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -815.030582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.030582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.030582 (E_RNA)
where:
Base-Base interactions energy: -554.799
where: short stacking energy: -242.396
Base-Backbone interact. energy: 0.148
local terms energy: -260.380110
where:
bonds (distance) C4'-P energy: -52.171
bonds (distance) P-C4' energy: -59.732
flat angles C4'-P-C4' energy: -53.268
flat angles P-C4'-P energy: -36.092
tors. eta vs tors. theta energy: -59.117
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: 147
Temperature: 1.100000
Total energy: -673.865635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.865635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.865635 (E_RNA)
where:
Base-Base interactions energy: -464.791
where: short stacking energy: -190.961
Base-Backbone interact. energy: 0.740
local terms energy: -209.814897
where:
bonds (distance) C4'-P energy: -39.658
bonds (distance) P-C4' energy: -48.168
flat angles C4'-P-C4' energy: -49.779
flat angles P-C4'-P energy: -32.382
tors. eta vs tors. theta energy: -39.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -634.430078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.430078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.430078 (E_RNA)
where:
Base-Base interactions energy: -407.793
where: short stacking energy: -195.043
Base-Backbone interact. energy: -1.655
local terms energy: -224.982258
where:
bonds (distance) C4'-P energy: -46.876
bonds (distance) P-C4' energy: -51.082
flat angles C4'-P-C4' energy: -51.498
flat angles P-C4'-P energy: -35.508
tors. eta vs tors. theta energy: -40.018
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: 7, replica: 8
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -636.472699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.472699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.472699 (E_RNA)
where:
Base-Base interactions energy: -429.677
where: short stacking energy: -185.387
Base-Backbone interact. energy: -1.378
local terms energy: -205.417367
where:
bonds (distance) C4'-P energy: -40.020
bonds (distance) P-C4' energy: -47.283
flat angles C4'-P-C4' energy: -46.400
flat angles P-C4'-P energy: -31.149
tors. eta vs tors. theta energy: -40.565
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: 2
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -604.986461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.986461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.986461 (E_RNA)
where:
Base-Base interactions energy: -382.146
where: short stacking energy: -170.662
Base-Backbone interact. energy: -1.734
local terms energy: -221.106828
where:
bonds (distance) C4'-P energy: -54.813
bonds (distance) P-C4' energy: -40.668
flat angles C4'-P-C4' energy: -49.821
flat angles P-C4'-P energy: -31.299
tors. eta vs tors. theta energy: -44.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -313.162034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.162034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.162034 (E_RNA)
where:
Base-Base interactions energy: -144.166
where: short stacking energy: -89.544
Base-Backbone interact. energy: -1.226
local terms energy: -167.770286
where:
bonds (distance) C4'-P energy: -49.639
bonds (distance) P-C4' energy: -37.417
flat angles C4'-P-C4' energy: -40.916
flat angles P-C4'-P energy: -35.507
tors. eta vs tors. theta energy: -4.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -294.392085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.392085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.392085 (E_RNA)
where:
Base-Base interactions energy: -133.903
where: short stacking energy: -90.734
Base-Backbone interact. energy: -0.419
local terms energy: -160.069576
where:
bonds (distance) C4'-P energy: -38.684
bonds (distance) P-C4' energy: -51.958
flat angles C4'-P-C4' energy: -37.611
flat angles P-C4'-P energy: -23.997
tors. eta vs tors. theta energy: -7.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -899.915905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.915905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.915905 (E_RNA)
where:
Base-Base interactions energy: -605.380
where: short stacking energy: -262.531
Base-Backbone interact. energy: 0.273
local terms energy: -294.808368
where:
bonds (distance) C4'-P energy: -56.497
bonds (distance) P-C4' energy: -55.405
flat angles C4'-P-C4' energy: -59.640
flat angles P-C4'-P energy: -45.345
tors. eta vs tors. theta energy: -77.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -873.646774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.646774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.646774 (E_RNA)
where:
Base-Base interactions energy: -610.153
where: short stacking energy: -269.629
Base-Backbone interact. energy: 0.364
local terms energy: -263.858003
where:
bonds (distance) C4'-P energy: -50.952
bonds (distance) P-C4' energy: -47.304
flat angles C4'-P-C4' energy: -55.803
flat angles P-C4'-P energy: -41.853
tors. eta vs tors. theta energy: -67.946
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: 148
Temperature: 1.000000
Total energy: -842.132586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.132586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.132586 (E_RNA)
where:
Base-Base interactions energy: -573.505
where: short stacking energy: -249.835
Base-Backbone interact. energy: -2.827
local terms energy: -265.800658
where:
bonds (distance) C4'-P energy: -52.286
bonds (distance) P-C4' energy: -50.497
flat angles C4'-P-C4' energy: -56.209
flat angles P-C4'-P energy: -39.484
tors. eta vs tors. theta energy: -67.326
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: 3
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -795.353423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.353423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.353423 (E_RNA)
where:
Base-Base interactions energy: -559.505
where: short stacking energy: -252.222
Base-Backbone interact. energy: -0.604
local terms energy: -235.244374
where:
bonds (distance) C4'-P energy: -43.290
bonds (distance) P-C4' energy: -41.703
flat angles C4'-P-C4' energy: -47.979
flat angles P-C4'-P energy: -36.406
tors. eta vs tors. theta energy: -65.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -679.357097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.357097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.357097 (E_RNA)
where:
Base-Base interactions energy: -453.351
where: short stacking energy: -213.973
Base-Backbone interact. energy: -1.857
local terms energy: -224.148480
where:
bonds (distance) C4'-P energy: -42.655
bonds (distance) P-C4' energy: -49.400
flat angles C4'-P-C4' energy: -53.155
flat angles P-C4'-P energy: -24.902
tors. eta vs tors. theta energy: -54.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -609.907651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.907651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.907651 (E_RNA)
where:
Base-Base interactions energy: -428.227
where: short stacking energy: -182.254
Base-Backbone interact. energy: -1.295
local terms energy: -180.385031
where:
bonds (distance) C4'-P energy: -46.388
bonds (distance) P-C4' energy: -31.970
flat angles C4'-P-C4' energy: -46.300
flat angles P-C4'-P energy: -20.153
tors. eta vs tors. theta energy: -35.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -600.395397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.395397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.395397 (E_RNA)
where:
Base-Base interactions energy: -397.495
where: short stacking energy: -170.146
Base-Backbone interact. energy: -0.159
local terms energy: -202.741658
where:
bonds (distance) C4'-P energy: -33.185
bonds (distance) P-C4' energy: -52.606
flat angles C4'-P-C4' energy: -49.887
flat angles P-C4'-P energy: -34.193
tors. eta vs tors. theta energy: -32.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -577.191097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.191097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.191097 (E_RNA)
where:
Base-Base interactions energy: -372.240
where: short stacking energy: -159.236
Base-Backbone interact. energy: -0.434
local terms energy: -204.516723
where:
bonds (distance) C4'-P energy: -48.408
bonds (distance) P-C4' energy: -43.473
flat angles C4'-P-C4' energy: -47.170
flat angles P-C4'-P energy: -23.673
tors. eta vs tors. theta energy: -41.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -331.768562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.768562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.768562 (E_RNA)
where:
Base-Base interactions energy: -174.862
where: short stacking energy: -90.500
Base-Backbone interact. energy: -0.440
local terms energy: -156.466454
where:
bonds (distance) C4'-P energy: -36.313
bonds (distance) P-C4' energy: -46.472
flat angles C4'-P-C4' energy: -32.451
flat angles P-C4'-P energy: -33.551
tors. eta vs tors. theta energy: -7.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -305.639155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.639155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.639155 (E_RNA)
where:
Base-Base interactions energy: -155.782
where: short stacking energy: -96.580
Base-Backbone interact. energy: 5.508
local terms energy: -155.365753
where:
bonds (distance) C4'-P energy: -38.878
bonds (distance) P-C4' energy: -48.375
flat angles C4'-P-C4' energy: -36.732
flat angles P-C4'-P energy: -22.491
tors. eta vs tors. theta energy: -8.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -892.186188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.186188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.186188 (E_RNA)
where:
Base-Base interactions energy: -607.775
where: short stacking energy: -254.124
Base-Backbone interact. energy: -1.102
local terms energy: -283.309122
where:
bonds (distance) C4'-P energy: -58.567
bonds (distance) P-C4' energy: -51.933
flat angles C4'-P-C4' energy: -64.451
flat angles P-C4'-P energy: -38.814
tors. eta vs tors. theta energy: -69.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -875.195463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.195463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.195463 (E_RNA)
where:
Base-Base interactions energy: -602.912
where: short stacking energy: -257.255
Base-Backbone interact. energy: -2.045
local terms energy: -270.238605
where:
bonds (distance) C4'-P energy: -46.720
bonds (distance) P-C4' energy: -52.915
flat angles C4'-P-C4' energy: -57.221
flat angles P-C4'-P energy: -43.433
tors. eta vs tors. theta energy: -69.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -823.029877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.029877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.029877 (E_RNA)
where:
Base-Base interactions energy: -554.548
where: short stacking energy: -239.928
Base-Backbone interact. energy: -1.475
local terms energy: -267.006933
where:
bonds (distance) C4'-P energy: -53.487
bonds (distance) P-C4' energy: -48.242
flat angles C4'-P-C4' energy: -55.287
flat angles P-C4'-P energy: -41.547
tors. eta vs tors. theta energy: -68.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -793.521727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.521727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.521727 (E_RNA)
where:
Base-Base interactions energy: -544.699
where: short stacking energy: -227.711
Base-Backbone interact. energy: -1.448
local terms energy: -247.374277
where:
bonds (distance) C4'-P energy: -38.860
bonds (distance) P-C4' energy: -49.343
flat angles C4'-P-C4' energy: -55.622
flat angles P-C4'-P energy: -40.908
tors. eta vs tors. theta energy: -62.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -686.132735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.132735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.132735 (E_RNA)
where:
Base-Base interactions energy: -458.766
where: short stacking energy: -196.063
Base-Backbone interact. energy: -2.231
local terms energy: -225.136113
where:
bonds (distance) C4'-P energy: -47.148
bonds (distance) P-C4' energy: -50.436
flat angles C4'-P-C4' energy: -56.684
flat angles P-C4'-P energy: -32.192
tors. eta vs tors. theta energy: -38.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -648.443827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.443827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.443827 (E_RNA)
where:
Base-Base interactions energy: -419.175
where: short stacking energy: -199.076
Base-Backbone interact. energy: 0.579
local terms energy: -229.848229
where:
bonds (distance) C4'-P energy: -46.957
bonds (distance) P-C4' energy: -48.557
flat angles C4'-P-C4' energy: -43.308
flat angles P-C4'-P energy: -40.698
tors. eta vs tors. theta energy: -50.329
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: 7
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -603.420922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.420922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.420922 (E_RNA)
where:
Base-Base interactions energy: -394.896
where: short stacking energy: -174.546
Base-Backbone interact. energy: -1.016
local terms energy: -207.509151
where:
bonds (distance) C4'-P energy: -48.984
bonds (distance) P-C4' energy: -44.168
flat angles C4'-P-C4' energy: -41.022
flat angles P-C4'-P energy: -34.335
tors. eta vs tors. theta energy: -39.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -606.519065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.519065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.519065 (E_RNA)
where:
Base-Base interactions energy: -403.356
where: short stacking energy: -170.463
Base-Backbone interact. energy: -0.186
local terms energy: -202.977784
where:
bonds (distance) C4'-P energy: -43.739
bonds (distance) P-C4' energy: -50.313
flat angles C4'-P-C4' energy: -49.654
flat angles P-C4'-P energy: -19.104
tors. eta vs tors. theta energy: -40.168
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: 10
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -343.213459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.213459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.213459 (E_RNA)
where:
Base-Base interactions energy: -189.692
where: short stacking energy: -106.658
Base-Backbone interact. energy: 2.621
local terms energy: -156.142818
where:
bonds (distance) C4'-P energy: -35.963
bonds (distance) P-C4' energy: -44.406
flat angles C4'-P-C4' energy: -44.870
flat angles P-C4'-P energy: -24.038
tors. eta vs tors. theta energy: -6.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -288.158341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.158341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.158341 (E_RNA)
where:
Base-Base interactions energy: -125.843
where: short stacking energy: -86.134
Base-Backbone interact. energy: -0.201
local terms energy: -162.114909
where:
bonds (distance) C4'-P energy: -39.504
bonds (distance) P-C4' energy: -47.292
flat angles C4'-P-C4' energy: -47.830
flat angles P-C4'-P energy: -26.852
tors. eta vs tors. theta energy: -0.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -910.902096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.902096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.902096 (E_RNA)
where:
Base-Base interactions energy: -632.720
where: short stacking energy: -278.241
Base-Backbone interact. energy: 0.411
local terms energy: -278.593089
where:
bonds (distance) C4'-P energy: -55.588
bonds (distance) P-C4' energy: -57.962
flat angles C4'-P-C4' energy: -57.977
flat angles P-C4'-P energy: -38.119
tors. eta vs tors. theta energy: -68.947
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: 4
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -868.682389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.682389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.682389 (E_RNA)
where:
Base-Base interactions energy: -600.153
where: short stacking energy: -254.957
Base-Backbone interact. energy: -1.648
local terms energy: -266.882080
where:
bonds (distance) C4'-P energy: -51.457
bonds (distance) P-C4' energy: -59.044
flat angles C4'-P-C4' energy: -58.691
flat angles P-C4'-P energy: -33.261
tors. eta vs tors. theta energy: -64.430
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: 3
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -817.263482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.263482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.263482 (E_RNA)
where:
Base-Base interactions energy: -564.458
where: short stacking energy: -248.241
Base-Backbone interact. energy: 0.162
local terms energy: -252.967095
where:
bonds (distance) C4'-P energy: -46.831
bonds (distance) P-C4' energy: -49.969
flat angles C4'-P-C4' energy: -58.588
flat angles P-C4'-P energy: -31.658
tors. eta vs tors. theta energy: -65.922
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: 5
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -806.431598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.431598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.431598 (E_RNA)
where:
Base-Base interactions energy: -545.511
where: short stacking energy: -232.291
Base-Backbone interact. energy: -0.783
local terms energy: -260.137195
where:
bonds (distance) C4'-P energy: -47.703
bonds (distance) P-C4' energy: -49.564
flat angles C4'-P-C4' energy: -56.421
flat angles P-C4'-P energy: -41.275
tors. eta vs tors. theta energy: -65.174
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: 6
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -714.422043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.422043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.422043 (E_RNA)
where:
Base-Base interactions energy: -479.133
where: short stacking energy: -207.641
Base-Backbone interact. energy: 1.423
local terms energy: -236.711842
where:
bonds (distance) C4'-P energy: -41.851
bonds (distance) P-C4' energy: -55.159
flat angles C4'-P-C4' energy: -56.315
flat angles P-C4'-P energy: -36.057
tors. eta vs tors. theta energy: -47.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -651.505570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.505570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.505570 (E_RNA)
where:
Base-Base interactions energy: -411.789
where: short stacking energy: -184.276
Base-Backbone interact. energy: 0.925
local terms energy: -240.641615
where:
bonds (distance) C4'-P energy: -45.730
bonds (distance) P-C4' energy: -59.699
flat angles C4'-P-C4' energy: -55.792
flat angles P-C4'-P energy: -32.161
tors. eta vs tors. theta energy: -47.261
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: 8
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -617.965780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.965780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.965780 (E_RNA)
where:
Base-Base interactions energy: -369.953
where: short stacking energy: -170.612
Base-Backbone interact. energy: 0.298
local terms energy: -248.311760
where:
bonds (distance) C4'-P energy: -53.204
bonds (distance) P-C4' energy: -59.534
flat angles C4'-P-C4' energy: -56.645
flat angles P-C4'-P energy: -38.866
tors. eta vs tors. theta energy: -40.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -563.564052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.564052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.564052 (E_RNA)
where:
Base-Base interactions energy: -380.306
where: short stacking energy: -170.157
Base-Backbone interact. energy: -1.347
local terms energy: -181.910738
where:
bonds (distance) C4'-P energy: -37.437
bonds (distance) P-C4' energy: -38.788
flat angles C4'-P-C4' energy: -46.556
flat angles P-C4'-P energy: -28.859
tors. eta vs tors. theta energy: -30.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -330.292263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.292263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.292263 (E_RNA)
where:
Base-Base interactions energy: -178.011
where: short stacking energy: -96.718
Base-Backbone interact. energy: -1.473
local terms energy: -150.808247
where:
bonds (distance) C4'-P energy: -42.504
bonds (distance) P-C4' energy: -41.739
flat angles C4'-P-C4' energy: -28.083
flat angles P-C4'-P energy: -28.479
tors. eta vs tors. theta energy: -10.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -286.587677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.587677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.587677 (E_RNA)
where:
Base-Base interactions energy: -123.699
where: short stacking energy: -73.438
Base-Backbone interact. energy: -0.878
local terms energy: -162.009927
where:
bonds (distance) C4'-P energy: -37.763
bonds (distance) P-C4' energy: -47.539
flat angles C4'-P-C4' energy: -37.307
flat angles P-C4'-P energy: -33.747
tors. eta vs tors. theta energy: -5.653
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: 1
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -906.745345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.745345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.745345 (E_RNA)
where:
Base-Base interactions energy: -638.974
where: short stacking energy: -265.280
Base-Backbone interact. energy: 0.041
local terms energy: -267.811651
where:
bonds (distance) C4'-P energy: -52.573
bonds (distance) P-C4' energy: -50.156
flat angles C4'-P-C4' energy: -56.393
flat angles P-C4'-P energy: -38.250
tors. eta vs tors. theta energy: -70.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -854.679950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.679950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.679950 (E_RNA)
where:
Base-Base interactions energy: -578.206
where: short stacking energy: -265.857
Base-Backbone interact. energy: 0.110
local terms energy: -276.583451
where:
bonds (distance) C4'-P energy: -57.282
bonds (distance) P-C4' energy: -50.198
flat angles C4'-P-C4' energy: -53.111
flat angles P-C4'-P energy: -44.543
tors. eta vs tors. theta energy: -71.450
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: 3, replica: 3
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -837.503052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.503052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.503052 (E_RNA)
where:
Base-Base interactions energy: -579.479
where: short stacking energy: -246.091
Base-Backbone interact. energy: -0.866
local terms energy: -257.158441
where:
bonds (distance) C4'-P energy: -47.756
bonds (distance) P-C4' energy: -49.004
flat angles C4'-P-C4' energy: -56.515
flat angles P-C4'-P energy: -36.385
tors. eta vs tors. theta energy: -67.499
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: 5
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -823.723511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.723511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.723511 (E_RNA)
where:
Base-Base interactions energy: -564.873
where: short stacking energy: -243.347
Base-Backbone interact. energy: -1.004
local terms energy: -257.846592
where:
bonds (distance) C4'-P energy: -51.405
bonds (distance) P-C4' energy: -47.165
flat angles C4'-P-C4' energy: -55.473
flat angles P-C4'-P energy: -37.369
tors. eta vs tors. theta energy: -66.435
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: 6
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -703.443165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.443165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.443165 (E_RNA)
where:
Base-Base interactions energy: -458.912
where: short stacking energy: -208.927
Base-Backbone interact. energy: -0.606
local terms energy: -243.925740
where:
bonds (distance) C4'-P energy: -52.464
bonds (distance) P-C4' energy: -50.555
flat angles C4'-P-C4' energy: -51.144
flat angles P-C4'-P energy: -37.464
tors. eta vs tors. theta energy: -52.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -627.314015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.314015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.314015 (E_RNA)
where:
Base-Base interactions energy: -413.181
where: short stacking energy: -197.781
Base-Backbone interact. energy: -0.194
local terms energy: -213.939239
where:
bonds (distance) C4'-P energy: -43.008
bonds (distance) P-C4' energy: -48.880
flat angles C4'-P-C4' energy: -49.210
flat angles P-C4'-P energy: -24.358
tors. eta vs tors. theta energy: -48.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -622.034821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.034821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.034821 (E_RNA)
where:
Base-Base interactions energy: -404.168
where: short stacking energy: -177.599
Base-Backbone interact. energy: -1.030
local terms energy: -216.836417
where:
bonds (distance) C4'-P energy: -34.968
bonds (distance) P-C4' energy: -50.110
flat angles C4'-P-C4' energy: -53.215
flat angles P-C4'-P energy: -32.345
tors. eta vs tors. theta energy: -46.197
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: 7
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -615.981362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.981362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.981362 (E_RNA)
where:
Base-Base interactions energy: -400.477
where: short stacking energy: -188.461
Base-Backbone interact. energy: 1.158
local terms energy: -216.663293
where:
bonds (distance) C4'-P energy: -41.002
bonds (distance) P-C4' energy: -54.488
flat angles C4'-P-C4' energy: -52.951
flat angles P-C4'-P energy: -30.958
tors. eta vs tors. theta energy: -37.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -351.322373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.322373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.322373 (E_RNA)
where:
Base-Base interactions energy: -188.538
where: short stacking energy: -99.452
Base-Backbone interact. energy: 5.987
local terms energy: -168.771488
where:
bonds (distance) C4'-P energy: -45.839
bonds (distance) P-C4' energy: -49.126
flat angles C4'-P-C4' energy: -36.272
flat angles P-C4'-P energy: -28.804
tors. eta vs tors. theta energy: -8.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -226.478535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.478535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.478535 (E_RNA)
where:
Base-Base interactions energy: -78.551
where: short stacking energy: -66.703
Base-Backbone interact. energy: -0.997
local terms energy: -146.930221
where:
bonds (distance) C4'-P energy: -50.721
bonds (distance) P-C4' energy: -42.549
flat angles C4'-P-C4' energy: -37.011
flat angles P-C4'-P energy: -16.258
tors. eta vs tors. theta energy: -0.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -912.819644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.819644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.819644 (E_RNA)
where:
Base-Base interactions energy: -631.628
where: short stacking energy: -262.076
Base-Backbone interact. energy: 5.520
local terms energy: -286.711855
where:
bonds (distance) C4'-P energy: -58.916
bonds (distance) P-C4' energy: -55.223
flat angles C4'-P-C4' energy: -59.536
flat angles P-C4'-P energy: -38.491
tors. eta vs tors. theta energy: -74.546
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: 4
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -865.863806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.863806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.863806 (E_RNA)
where:
Base-Base interactions energy: -584.925
where: short stacking energy: -261.652
Base-Backbone interact. energy: -2.384
local terms energy: -278.554442
where:
bonds (distance) C4'-P energy: -52.911
bonds (distance) P-C4' energy: -53.890
flat angles C4'-P-C4' energy: -59.235
flat angles P-C4'-P energy: -41.134
tors. eta vs tors. theta energy: -71.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -829.223865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.223865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.223865 (E_RNA)
where:
Base-Base interactions energy: -560.160
where: short stacking energy: -233.343
Base-Backbone interact. energy: -1.769
local terms energy: -267.294504
where:
bonds (distance) C4'-P energy: -63.198
bonds (distance) P-C4' energy: -48.912
flat angles C4'-P-C4' energy: -55.382
flat angles P-C4'-P energy: -31.704
tors. eta vs tors. theta energy: -68.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -837.681559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.681559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.681559 (E_RNA)
where:
Base-Base interactions energy: -582.663
where: short stacking energy: -257.719
Base-Backbone interact. energy: -0.328
local terms energy: -254.690001
where:
bonds (distance) C4'-P energy: -36.129
bonds (distance) P-C4' energy: -55.776
flat angles C4'-P-C4' energy: -57.014
flat angles P-C4'-P energy: -36.639
tors. eta vs tors. theta energy: -69.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -679.686381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.686381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.686381 (E_RNA)
where:
Base-Base interactions energy: -446.797
where: short stacking energy: -198.814
Base-Backbone interact. energy: -1.243
local terms energy: -231.646678
where:
bonds (distance) C4'-P energy: -43.264
bonds (distance) P-C4' energy: -49.840
flat angles C4'-P-C4' energy: -55.284
flat angles P-C4'-P energy: -31.713
tors. eta vs tors. theta energy: -51.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -622.322854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.322854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.322854 (E_RNA)
where:
Base-Base interactions energy: -398.225
where: short stacking energy: -175.360
Base-Backbone interact. energy: -1.654
local terms energy: -222.443733
where:
bonds (distance) C4'-P energy: -44.978
bonds (distance) P-C4' energy: -47.133
flat angles C4'-P-C4' energy: -50.925
flat angles P-C4'-P energy: -40.572
tors. eta vs tors. theta energy: -38.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -606.079401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.079401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.079401 (E_RNA)
where:
Base-Base interactions energy: -384.825
where: short stacking energy: -177.533
Base-Backbone interact. energy: -1.561
local terms energy: -219.693545
where:
bonds (distance) C4'-P energy: -40.785
bonds (distance) P-C4' energy: -51.889
flat angles C4'-P-C4' energy: -50.328
flat angles P-C4'-P energy: -33.828
tors. eta vs tors. theta energy: -42.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -610.377862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.377862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.377862 (E_RNA)
where:
Base-Base interactions energy: -415.119
where: short stacking energy: -171.142
Base-Backbone interact. energy: 2.720
local terms energy: -197.978739
where:
bonds (distance) C4'-P energy: -47.144
bonds (distance) P-C4' energy: -41.682
flat angles C4'-P-C4' energy: -48.731
flat angles P-C4'-P energy: -26.135
tors. eta vs tors. theta energy: -34.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -365.588558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.588558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.588558 (E_RNA)
where:
Base-Base interactions energy: -192.524
where: short stacking energy: -100.762
Base-Backbone interact. energy: -1.302
local terms energy: -171.761789
where:
bonds (distance) C4'-P energy: -35.165
bonds (distance) P-C4' energy: -47.096
flat angles C4'-P-C4' energy: -50.349
flat angles P-C4'-P energy: -25.857
tors. eta vs tors. theta energy: -13.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -233.682017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.682017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.682017 (E_RNA)
where:
Base-Base interactions energy: -85.649
where: short stacking energy: -67.536
Base-Backbone interact. energy: 2.770
local terms energy: -150.802463
where:
bonds (distance) C4'-P energy: -45.832
bonds (distance) P-C4' energy: -47.752
flat angles C4'-P-C4' energy: -46.155
flat angles P-C4'-P energy: -11.403
tors. eta vs tors. theta energy: 0.340
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: 153
Temperature: 0.900000
Total energy: -917.749550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.749550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.749550 (E_RNA)
where:
Base-Base interactions energy: -637.001
where: short stacking energy: -270.086
Base-Backbone interact. energy: -1.869
local terms energy: -278.878999
where:
bonds (distance) C4'-P energy: -44.362
bonds (distance) P-C4' energy: -56.085
flat angles C4'-P-C4' energy: -62.641
flat angles P-C4'-P energy: -41.310
tors. eta vs tors. theta energy: -74.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -880.808093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.808093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.808093 (E_RNA)
where:
Base-Base interactions energy: -601.094
where: short stacking energy: -260.789
Base-Backbone interact. energy: -0.982
local terms energy: -278.732612
where:
bonds (distance) C4'-P energy: -43.679
bonds (distance) P-C4' energy: -53.918
flat angles C4'-P-C4' energy: -62.176
flat angles P-C4'-P energy: -40.963
tors. eta vs tors. theta energy: -77.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -833.333848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.333848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.333848 (E_RNA)
where:
Base-Base interactions energy: -566.980
where: short stacking energy: -245.927
Base-Backbone interact. energy: -1.162
local terms energy: -265.191852
where:
bonds (distance) C4'-P energy: -45.685
bonds (distance) P-C4' energy: -49.809
flat angles C4'-P-C4' energy: -61.207
flat angles P-C4'-P energy: -40.955
tors. eta vs tors. theta energy: -67.536
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: 153
Temperature: 1.050000
Total energy: -809.317579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.317579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.317579 (E_RNA)
where:
Base-Base interactions energy: -535.542
where: short stacking energy: -236.456
Base-Backbone interact. energy: -0.828
local terms energy: -272.947257
where:
bonds (distance) C4'-P energy: -48.277
bonds (distance) P-C4' energy: -53.109
flat angles C4'-P-C4' energy: -56.092
flat angles P-C4'-P energy: -41.387
tors. eta vs tors. theta energy: -74.082
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: 5, replica: 6
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -703.550357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.550357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.550357 (E_RNA)
where:
Base-Base interactions energy: -481.724
where: short stacking energy: -199.086
Base-Backbone interact. energy: 2.607
local terms energy: -224.433243
where:
bonds (distance) C4'-P energy: -43.482
bonds (distance) P-C4' energy: -46.880
flat angles C4'-P-C4' energy: -50.943
flat angles P-C4'-P energy: -36.274
tors. eta vs tors. theta energy: -46.854
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: 2
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -643.431984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.431984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.431984 (E_RNA)
where:
Base-Base interactions energy: -420.101
where: short stacking energy: -212.465
Base-Backbone interact. energy: 0.650
local terms energy: -223.981032
where:
bonds (distance) C4'-P energy: -49.706
bonds (distance) P-C4' energy: -46.865
flat angles C4'-P-C4' energy: -48.968
flat angles P-C4'-P energy: -32.188
tors. eta vs tors. theta energy: -46.254
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: 8
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -597.993422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.993422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.993422 (E_RNA)
where:
Base-Base interactions energy: -387.368
where: short stacking energy: -174.315
Base-Backbone interact. energy: -1.743
local terms energy: -208.882305
where:
bonds (distance) C4'-P energy: -45.757
bonds (distance) P-C4' energy: -52.639
flat angles C4'-P-C4' energy: -40.726
flat angles P-C4'-P energy: -31.846
tors. eta vs tors. theta energy: -37.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -599.570372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.570372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.570372 (E_RNA)
where:
Base-Base interactions energy: -389.942
where: short stacking energy: -175.334
Base-Backbone interact. energy: 1.273
local terms energy: -210.901302
where:
bonds (distance) C4'-P energy: -48.344
bonds (distance) P-C4' energy: -39.799
flat angles C4'-P-C4' energy: -49.376
flat angles P-C4'-P energy: -31.927
tors. eta vs tors. theta energy: -41.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -351.413209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.413209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.413209 (E_RNA)
where:
Base-Base interactions energy: -178.491
where: short stacking energy: -117.482
Base-Backbone interact. energy: 0.144
local terms energy: -173.066230
where:
bonds (distance) C4'-P energy: -55.548
bonds (distance) P-C4' energy: -47.538
flat angles C4'-P-C4' energy: -35.560
flat angles P-C4'-P energy: -20.900
tors. eta vs tors. theta energy: -13.520
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: 10
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -228.413628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.413628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.413628 (E_RNA)
where:
Base-Base interactions energy: -84.290
where: short stacking energy: -71.479
Base-Backbone interact. energy: 2.341
local terms energy: -146.465461
where:
bonds (distance) C4'-P energy: -30.863
bonds (distance) P-C4' energy: -51.216
flat angles C4'-P-C4' energy: -43.432
flat angles P-C4'-P energy: -24.710
tors. eta vs tors. theta energy: 3.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -922.091830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.091830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.091830 (E_RNA)
where:
Base-Base interactions energy: -628.578
where: short stacking energy: -266.696
Base-Backbone interact. energy: -1.703
local terms energy: -291.810928
where:
bonds (distance) C4'-P energy: -57.725
bonds (distance) P-C4' energy: -60.704
flat angles C4'-P-C4' energy: -60.037
flat angles P-C4'-P energy: -40.547
tors. eta vs tors. theta energy: -72.798
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: 4
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -851.028993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.028993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.028993 (E_RNA)
where:
Base-Base interactions energy: -579.302
where: short stacking energy: -267.179
Base-Backbone interact. energy: -2.192
local terms energy: -269.535184
where:
bonds (distance) C4'-P energy: -52.476
bonds (distance) P-C4' energy: -45.280
flat angles C4'-P-C4' energy: -61.125
flat angles P-C4'-P energy: -40.062
tors. eta vs tors. theta energy: -70.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -828.817597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.817597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.817597 (E_RNA)
where:
Base-Base interactions energy: -572.128
where: short stacking energy: -245.881
Base-Backbone interact. energy: -1.230
local terms energy: -255.459801
where:
bonds (distance) C4'-P energy: -42.266
bonds (distance) P-C4' energy: -44.898
flat angles C4'-P-C4' energy: -57.791
flat angles P-C4'-P energy: -40.444
tors. eta vs tors. theta energy: -70.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -838.027823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.027823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.027823 (E_RNA)
where:
Base-Base interactions energy: -568.362
where: short stacking energy: -255.368
Base-Backbone interact. energy: -1.960
local terms energy: -267.706735
where:
bonds (distance) C4'-P energy: -45.827
bonds (distance) P-C4' energy: -62.245
flat angles C4'-P-C4' energy: -58.977
flat angles P-C4'-P energy: -32.094
tors. eta vs tors. theta energy: -68.564
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: 5, replica: 6
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -701.721797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.721797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.721797 (E_RNA)
where:
Base-Base interactions energy: -470.521
where: short stacking energy: -211.700
Base-Backbone interact. energy: -0.319
local terms energy: -230.881055
where:
bonds (distance) C4'-P energy: -52.079
bonds (distance) P-C4' energy: -46.669
flat angles C4'-P-C4' energy: -51.797
flat angles P-C4'-P energy: -35.752
tors. eta vs tors. theta energy: -44.585
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: 2
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -640.909747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.909747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.909747 (E_RNA)
where:
Base-Base interactions energy: -409.155
where: short stacking energy: -186.672
Base-Backbone interact. energy: -0.055
local terms energy: -231.699774
where:
bonds (distance) C4'-P energy: -49.672
bonds (distance) P-C4' energy: -50.671
flat angles C4'-P-C4' energy: -49.953
flat angles P-C4'-P energy: -32.440
tors. eta vs tors. theta energy: -48.964
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: 8
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -584.258641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.258641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.258641 (E_RNA)
where:
Base-Base interactions energy: -376.832
where: short stacking energy: -178.368
Base-Backbone interact. energy: 0.800
local terms energy: -208.227016
where:
bonds (distance) C4'-P energy: -45.819
bonds (distance) P-C4' energy: -40.093
flat angles C4'-P-C4' energy: -39.918
flat angles P-C4'-P energy: -30.374
tors. eta vs tors. theta energy: -52.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -592.349487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.349487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.349487 (E_RNA)
where:
Base-Base interactions energy: -392.327
where: short stacking energy: -179.726
Base-Backbone interact. energy: -0.684
local terms energy: -199.339025
where:
bonds (distance) C4'-P energy: -42.074
bonds (distance) P-C4' energy: -45.142
flat angles C4'-P-C4' energy: -46.185
flat angles P-C4'-P energy: -31.913
tors. eta vs tors. theta energy: -34.024
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: 9
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -316.130584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.130584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.130584 (E_RNA)
where:
Base-Base interactions energy: -147.680
where: short stacking energy: -90.128
Base-Backbone interact. energy: 1.567
local terms energy: -170.017545
where:
bonds (distance) C4'-P energy: -43.374
bonds (distance) P-C4' energy: -44.418
flat angles C4'-P-C4' energy: -47.879
flat angles P-C4'-P energy: -28.390
tors. eta vs tors. theta energy: -5.957
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: 10
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -228.508214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.508214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.508214 (E_RNA)
where:
Base-Base interactions energy: -98.042
where: short stacking energy: -81.866
Base-Backbone interact. energy: 0.051
local terms energy: -130.516365
where:
bonds (distance) C4'-P energy: -38.565
bonds (distance) P-C4' energy: -33.189
flat angles C4'-P-C4' energy: -42.680
flat angles P-C4'-P energy: -19.022
tors. eta vs tors. theta energy: 2.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -919.726437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.726437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.726437 (E_RNA)
where:
Base-Base interactions energy: -626.899
where: short stacking energy: -266.125
Base-Backbone interact. energy: -2.064
local terms energy: -290.763562
where:
bonds (distance) C4'-P energy: -54.264
bonds (distance) P-C4' energy: -52.459
flat angles C4'-P-C4' energy: -61.683
flat angles P-C4'-P energy: -46.225
tors. eta vs tors. theta energy: -76.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -850.388395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.388395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.388395 (E_RNA)
where:
Base-Base interactions energy: -580.433
where: short stacking energy: -249.352
Base-Backbone interact. energy: -0.113
local terms energy: -269.842944
where:
bonds (distance) C4'-P energy: -51.525
bonds (distance) P-C4' energy: -56.596
flat angles C4'-P-C4' energy: -60.418
flat angles P-C4'-P energy: -37.707
tors. eta vs tors. theta energy: -63.597
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: 3
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -845.732395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.732395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.732395 (E_RNA)
where:
Base-Base interactions energy: -590.292
where: short stacking energy: -253.258
Base-Backbone interact. energy: -0.990
local terms energy: -254.450647
where:
bonds (distance) C4'-P energy: -42.350
bonds (distance) P-C4' energy: -56.438
flat angles C4'-P-C4' energy: -52.871
flat angles P-C4'-P energy: -38.591
tors. eta vs tors. theta energy: -64.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -823.226699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.226699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.226699 (E_RNA)
where:
Base-Base interactions energy: -575.735
where: short stacking energy: -242.916
Base-Backbone interact. energy: 0.288
local terms energy: -247.779285
where:
bonds (distance) C4'-P energy: -49.488
bonds (distance) P-C4' energy: -56.887
flat angles C4'-P-C4' energy: -48.128
flat angles P-C4'-P energy: -28.865
tors. eta vs tors. theta energy: -64.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -701.097893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.097893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.097893 (E_RNA)
where:
Base-Base interactions energy: -463.101
where: short stacking energy: -210.958
Base-Backbone interact. energy: -2.532
local terms energy: -235.464629
where:
bonds (distance) C4'-P energy: -47.357
bonds (distance) P-C4' energy: -47.241
flat angles C4'-P-C4' energy: -56.905
flat angles P-C4'-P energy: -39.520
tors. eta vs tors. theta energy: -44.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -621.708988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.708988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.708988 (E_RNA)
where:
Base-Base interactions energy: -412.850
where: short stacking energy: -193.758
Base-Backbone interact. energy: -0.710
local terms energy: -208.149324
where:
bonds (distance) C4'-P energy: -49.022
bonds (distance) P-C4' energy: -49.580
flat angles C4'-P-C4' energy: -48.594
flat angles P-C4'-P energy: -26.588
tors. eta vs tors. theta energy: -34.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -597.719262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.719262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.719262 (E_RNA)
where:
Base-Base interactions energy: -393.472
where: short stacking energy: -179.460
Base-Backbone interact. energy: -0.830
local terms energy: -203.417381
where:
bonds (distance) C4'-P energy: -43.510
bonds (distance) P-C4' energy: -36.536
flat angles C4'-P-C4' energy: -48.928
flat angles P-C4'-P energy: -35.153
tors. eta vs tors. theta energy: -39.290
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: 8, replica: 7
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -603.818973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.818973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.818973 (E_RNA)
where:
Base-Base interactions energy: -391.924
where: short stacking energy: -175.924
Base-Backbone interact. energy: -0.653
local terms energy: -211.241902
where:
bonds (distance) C4'-P energy: -46.085
bonds (distance) P-C4' energy: -49.270
flat angles C4'-P-C4' energy: -41.125
flat angles P-C4'-P energy: -29.061
tors. eta vs tors. theta energy: -45.701
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: 9, replica: 9
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -294.502275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.502275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.502275 (E_RNA)
where:
Base-Base interactions energy: -136.000
where: short stacking energy: -86.773
Base-Backbone interact. energy: -0.634
local terms energy: -157.867879
where:
bonds (distance) C4'-P energy: -53.528
bonds (distance) P-C4' energy: -46.240
flat angles C4'-P-C4' energy: -36.696
flat angles P-C4'-P energy: -19.220
tors. eta vs tors. theta energy: -2.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -225.753269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.753269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.753269 (E_RNA)
where:
Base-Base interactions energy: -81.268
where: short stacking energy: -66.329
Base-Backbone interact. energy: -1.090
local terms energy: -143.394684
where:
bonds (distance) C4'-P energy: -36.173
bonds (distance) P-C4' energy: -47.097
flat angles C4'-P-C4' energy: -39.164
flat angles P-C4'-P energy: -24.138
tors. eta vs tors. theta energy: 3.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -909.677808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.677808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.677808 (E_RNA)
where:
Base-Base interactions energy: -627.672
where: short stacking energy: -268.187
Base-Backbone interact. energy: -1.207
local terms energy: -280.797846
where:
bonds (distance) C4'-P energy: -48.241
bonds (distance) P-C4' energy: -50.106
flat angles C4'-P-C4' energy: -58.078
flat angles P-C4'-P energy: -44.300
tors. eta vs tors. theta energy: -80.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -866.595348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.595348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.595348 (E_RNA)
where:
Base-Base interactions energy: -603.616
where: short stacking energy: -255.673
Base-Backbone interact. energy: -0.982
local terms energy: -261.997497
where:
bonds (distance) C4'-P energy: -50.790
bonds (distance) P-C4' energy: -54.377
flat angles C4'-P-C4' energy: -47.734
flat angles P-C4'-P energy: -41.809
tors. eta vs tors. theta energy: -67.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -848.477457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.477457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.477457 (E_RNA)
where:
Base-Base interactions energy: -580.850
where: short stacking energy: -240.185
Base-Backbone interact. energy: -1.431
local terms energy: -266.196522
where:
bonds (distance) C4'-P energy: -45.470
bonds (distance) P-C4' energy: -54.623
flat angles C4'-P-C4' energy: -55.623
flat angles P-C4'-P energy: -44.474
tors. eta vs tors. theta energy: -66.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -805.988657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.988657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.988657 (E_RNA)
where:
Base-Base interactions energy: -563.745
where: short stacking energy: -257.799
Base-Backbone interact. energy: 4.281
local terms energy: -246.524781
where:
bonds (distance) C4'-P energy: -48.924
bonds (distance) P-C4' energy: -51.574
flat angles C4'-P-C4' energy: -43.738
flat angles P-C4'-P energy: -38.942
tors. eta vs tors. theta energy: -63.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -686.544972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.544972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.544972 (E_RNA)
where:
Base-Base interactions energy: -461.432
where: short stacking energy: -212.916
Base-Backbone interact. energy: -0.010
local terms energy: -225.102956
where:
bonds (distance) C4'-P energy: -44.636
bonds (distance) P-C4' energy: -48.769
flat angles C4'-P-C4' energy: -45.810
flat angles P-C4'-P energy: -30.849
tors. eta vs tors. theta energy: -55.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -660.937585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.937585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.937585 (E_RNA)
where:
Base-Base interactions energy: -439.710
where: short stacking energy: -178.542
Base-Backbone interact. energy: 1.158
local terms energy: -222.385741
where:
bonds (distance) C4'-P energy: -43.067
bonds (distance) P-C4' energy: -50.181
flat angles C4'-P-C4' energy: -54.081
flat angles P-C4'-P energy: -39.657
tors. eta vs tors. theta energy: -35.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -624.270479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.270479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.270479 (E_RNA)
where:
Base-Base interactions energy: -435.864
where: short stacking energy: -193.006
Base-Backbone interact. energy: -0.710
local terms energy: -187.696820
where:
bonds (distance) C4'-P energy: -39.770
bonds (distance) P-C4' energy: -33.618
flat angles C4'-P-C4' energy: -40.596
flat angles P-C4'-P energy: -30.162
tors. eta vs tors. theta energy: -43.551
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: 8, replica: 2
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -560.478363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.478363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.478363 (E_RNA)
where:
Base-Base interactions energy: -356.437
where: short stacking energy: -149.250
Base-Backbone interact. energy: -1.766
local terms energy: -202.275747
where:
bonds (distance) C4'-P energy: -45.954
bonds (distance) P-C4' energy: -43.640
flat angles C4'-P-C4' energy: -49.942
flat angles P-C4'-P energy: -33.326
tors. eta vs tors. theta energy: -29.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -322.789084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.789084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.789084 (E_RNA)
where:
Base-Base interactions energy: -165.712
where: short stacking energy: -104.151
Base-Backbone interact. energy: -0.231
local terms energy: -156.846081
where:
bonds (distance) C4'-P energy: -38.946
bonds (distance) P-C4' energy: -44.924
flat angles C4'-P-C4' energy: -38.909
flat angles P-C4'-P energy: -26.337
tors. eta vs tors. theta energy: -7.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -228.046224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.046224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.046224 (E_RNA)
where:
Base-Base interactions energy: -101.105
where: short stacking energy: -76.175
Base-Backbone interact. energy: -1.989
local terms energy: -124.952437
where:
bonds (distance) C4'-P energy: -44.082
bonds (distance) P-C4' energy: -43.245
flat angles C4'-P-C4' energy: -28.049
flat angles P-C4'-P energy: -16.524
tors. eta vs tors. theta energy: 6.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -929.036014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.036014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.036014 (E_RNA)
where:
Base-Base interactions energy: -629.904
where: short stacking energy: -279.659
Base-Backbone interact. energy: -1.026
local terms energy: -298.106310
where:
bonds (distance) C4'-P energy: -57.370
bonds (distance) P-C4' energy: -55.064
flat angles C4'-P-C4' energy: -58.326
flat angles P-C4'-P energy: -46.266
tors. eta vs tors. theta energy: -81.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -876.919064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.919064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.919064 (E_RNA)
where:
Base-Base interactions energy: -619.141
where: short stacking energy: -269.288
Base-Backbone interact. energy: -0.382
local terms energy: -257.396168
where:
bonds (distance) C4'-P energy: -47.152
bonds (distance) P-C4' energy: -46.336
flat angles C4'-P-C4' energy: -57.225
flat angles P-C4'-P energy: -32.823
tors. eta vs tors. theta energy: -73.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -824.792362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.792362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.792362 (E_RNA)
where:
Base-Base interactions energy: -586.648
where: short stacking energy: -251.798
Base-Backbone interact. energy: 7.126
local terms energy: -245.270148
where:
bonds (distance) C4'-P energy: -38.332
bonds (distance) P-C4' energy: -54.838
flat angles C4'-P-C4' energy: -49.801
flat angles P-C4'-P energy: -32.467
tors. eta vs tors. theta energy: -69.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -798.291485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.291485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.291485 (E_RNA)
where:
Base-Base interactions energy: -542.641
where: short stacking energy: -235.417
Base-Backbone interact. energy: -0.740
local terms energy: -254.910299
where:
bonds (distance) C4'-P energy: -52.982
bonds (distance) P-C4' energy: -48.891
flat angles C4'-P-C4' energy: -61.031
flat angles P-C4'-P energy: -33.428
tors. eta vs tors. theta energy: -58.579
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: 6
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -696.908917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.908917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.908917 (E_RNA)
where:
Base-Base interactions energy: -475.138
where: short stacking energy: -203.919
Base-Backbone interact. energy: -1.635
local terms energy: -220.136499
where:
bonds (distance) C4'-P energy: -44.045
bonds (distance) P-C4' energy: -49.634
flat angles C4'-P-C4' energy: -45.160
flat angles P-C4'-P energy: -33.861
tors. eta vs tors. theta energy: -47.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -636.779889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.779889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.779889 (E_RNA)
where:
Base-Base interactions energy: -413.912
where: short stacking energy: -200.220
Base-Backbone interact. energy: 0.498
local terms energy: -223.365370
where:
bonds (distance) C4'-P energy: -41.740
bonds (distance) P-C4' energy: -42.689
flat angles C4'-P-C4' energy: -54.366
flat angles P-C4'-P energy: -34.751
tors. eta vs tors. theta energy: -49.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -598.268511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.268511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.268511 (E_RNA)
where:
Base-Base interactions energy: -394.382
where: short stacking energy: -166.135
Base-Backbone interact. energy: -0.484
local terms energy: -203.402984
where:
bonds (distance) C4'-P energy: -45.017
bonds (distance) P-C4' energy: -40.363
flat angles C4'-P-C4' energy: -47.510
flat angles P-C4'-P energy: -34.527
tors. eta vs tors. theta energy: -35.986
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: 2
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -574.281616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.281616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.281616 (E_RNA)
where:
Base-Base interactions energy: -400.059
where: short stacking energy: -164.213
Base-Backbone interact. energy: -2.406
local terms energy: -171.817256
where:
bonds (distance) C4'-P energy: -43.032
bonds (distance) P-C4' energy: -37.632
flat angles C4'-P-C4' energy: -37.027
flat angles P-C4'-P energy: -32.175
tors. eta vs tors. theta energy: -21.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -302.805622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.805622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.805622 (E_RNA)
where:
Base-Base interactions energy: -155.357
where: short stacking energy: -101.006
Base-Backbone interact. energy: -1.632
local terms energy: -145.816135
where:
bonds (distance) C4'-P energy: -40.292
bonds (distance) P-C4' energy: -45.461
flat angles C4'-P-C4' energy: -40.074
flat angles P-C4'-P energy: -21.094
tors. eta vs tors. theta energy: 1.105
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: 10
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -237.051899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.051899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.051899 (E_RNA)
where:
Base-Base interactions energy: -94.073
where: short stacking energy: -68.401
Base-Backbone interact. energy: 3.085
local terms energy: -146.063759
where:
bonds (distance) C4'-P energy: -35.973
bonds (distance) P-C4' energy: -45.919
flat angles C4'-P-C4' energy: -42.006
flat angles P-C4'-P energy: -24.341
tors. eta vs tors. theta energy: 2.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -914.226622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.226622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.226622 (E_RNA)
where:
Base-Base interactions energy: -628.580
where: short stacking energy: -259.605
Base-Backbone interact. energy: -1.468
local terms energy: -284.178480
where:
bonds (distance) C4'-P energy: -48.716
bonds (distance) P-C4' energy: -59.734
flat angles C4'-P-C4' energy: -61.771
flat angles P-C4'-P energy: -42.036
tors. eta vs tors. theta energy: -71.921
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: 2, replica: 4
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -869.529725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.529725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.529725 (E_RNA)
where:
Base-Base interactions energy: -604.971
where: short stacking energy: -252.915
Base-Backbone interact. energy: 3.395
local terms energy: -267.953390
where:
bonds (distance) C4'-P energy: -55.602
bonds (distance) P-C4' energy: -50.634
flat angles C4'-P-C4' energy: -54.739
flat angles P-C4'-P energy: -40.115
tors. eta vs tors. theta energy: -66.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -824.105528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.105528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.105528 (E_RNA)
where:
Base-Base interactions energy: -553.693
where: short stacking energy: -234.692
Base-Backbone interact. energy: 0.888
local terms energy: -271.300702
where:
bonds (distance) C4'-P energy: -43.979
bonds (distance) P-C4' energy: -57.108
flat angles C4'-P-C4' energy: -64.765
flat angles P-C4'-P energy: -40.243
tors. eta vs tors. theta energy: -65.206
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: 4, replica: 3
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -824.742391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.742391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.742391 (E_RNA)
where:
Base-Base interactions energy: -568.580
where: short stacking energy: -244.061
Base-Backbone interact. energy: 0.252
local terms energy: -256.414992
where:
bonds (distance) C4'-P energy: -41.113
bonds (distance) P-C4' energy: -55.501
flat angles C4'-P-C4' energy: -52.404
flat angles P-C4'-P energy: -39.799
tors. eta vs tors. theta energy: -67.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -705.798767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.798767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.798767 (E_RNA)
where:
Base-Base interactions energy: -463.141
where: short stacking energy: -207.942
Base-Backbone interact. energy: -0.787
local terms energy: -241.870557
where:
bonds (distance) C4'-P energy: -49.942
bonds (distance) P-C4' energy: -51.000
flat angles C4'-P-C4' energy: -53.185
flat angles P-C4'-P energy: -30.646
tors. eta vs tors. theta energy: -57.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -665.872827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.872827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.872827 (E_RNA)
where:
Base-Base interactions energy: -440.789
where: short stacking energy: -180.579
Base-Backbone interact. energy: -1.408
local terms energy: -223.675913
where:
bonds (distance) C4'-P energy: -39.855
bonds (distance) P-C4' energy: -53.125
flat angles C4'-P-C4' energy: -56.339
flat angles P-C4'-P energy: -33.162
tors. eta vs tors. theta energy: -41.194
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: 2
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -604.661632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.661632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.661632 (E_RNA)
where:
Base-Base interactions energy: -383.229
where: short stacking energy: -170.231
Base-Backbone interact. energy: -0.660
local terms energy: -220.772279
where:
bonds (distance) C4'-P energy: -42.872
bonds (distance) P-C4' energy: -54.885
flat angles C4'-P-C4' energy: -53.080
flat angles P-C4'-P energy: -33.589
tors. eta vs tors. theta energy: -36.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -562.958500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.958500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.958500 (E_RNA)
where:
Base-Base interactions energy: -371.705
where: short stacking energy: -174.193
Base-Backbone interact. energy: 3.347
local terms energy: -194.600328
where:
bonds (distance) C4'-P energy: -45.404
bonds (distance) P-C4' energy: -48.845
flat angles C4'-P-C4' energy: -45.748
flat angles P-C4'-P energy: -18.418
tors. eta vs tors. theta energy: -36.186
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: 9
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -315.238420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.238420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.238420 (E_RNA)
where:
Base-Base interactions energy: -155.029
where: short stacking energy: -69.009
Base-Backbone interact. energy: -2.375
local terms energy: -157.834210
where:
bonds (distance) C4'-P energy: -43.113
bonds (distance) P-C4' energy: -47.648
flat angles C4'-P-C4' energy: -37.305
flat angles P-C4'-P energy: -32.142
tors. eta vs tors. theta energy: 2.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -265.152211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.152211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.152211 (E_RNA)
where:
Base-Base interactions energy: -122.027
where: short stacking energy: -56.069
Base-Backbone interact. energy: 5.463
local terms energy: -148.588340
where:
bonds (distance) C4'-P energy: -44.611
bonds (distance) P-C4' energy: -53.382
flat angles C4'-P-C4' energy: -39.034
flat angles P-C4'-P energy: -25.116
tors. eta vs tors. theta energy: 13.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -911.052551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.052551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.052551 (E_RNA)
where:
Base-Base interactions energy: -636.781
where: short stacking energy: -276.626
Base-Backbone interact. energy: -1.322
local terms energy: -272.949065
where:
bonds (distance) C4'-P energy: -53.942
bonds (distance) P-C4' energy: -52.923
flat angles C4'-P-C4' energy: -60.410
flat angles P-C4'-P energy: -37.632
tors. eta vs tors. theta energy: -68.042
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: 4
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -869.538789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.538789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.538789 (E_RNA)
where:
Base-Base interactions energy: -604.311
where: short stacking energy: -257.341
Base-Backbone interact. energy: -1.463
local terms energy: -263.765159
where:
bonds (distance) C4'-P energy: -50.425
bonds (distance) P-C4' energy: -51.265
flat angles C4'-P-C4' energy: -55.894
flat angles P-C4'-P energy: -35.302
tors. eta vs tors. theta energy: -70.879
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: 3, replica: 5
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -847.776940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.776940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.776940 (E_RNA)
where:
Base-Base interactions energy: -598.172
where: short stacking energy: -257.377
Base-Backbone interact. energy: -1.255
local terms energy: -248.349658
where:
bonds (distance) C4'-P energy: -44.479
bonds (distance) P-C4' energy: -47.771
flat angles C4'-P-C4' energy: -53.107
flat angles P-C4'-P energy: -37.123
tors. eta vs tors. theta energy: -65.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -832.907557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.907557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.907557 (E_RNA)
where:
Base-Base interactions energy: -576.986
where: short stacking energy: -239.031
Base-Backbone interact. energy: -0.742
local terms energy: -255.179101
where:
bonds (distance) C4'-P energy: -46.054
bonds (distance) P-C4' energy: -58.070
flat angles C4'-P-C4' energy: -57.868
flat angles P-C4'-P energy: -31.871
tors. eta vs tors. theta energy: -61.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -714.072062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.072062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.072062 (E_RNA)
where:
Base-Base interactions energy: -486.541
where: short stacking energy: -211.059
Base-Backbone interact. energy: 0.119
local terms energy: -227.649607
where:
bonds (distance) C4'-P energy: -46.266
bonds (distance) P-C4' energy: -50.441
flat angles C4'-P-C4' energy: -52.083
flat angles P-C4'-P energy: -30.558
tors. eta vs tors. theta energy: -48.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -633.545353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.545353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.545353 (E_RNA)
where:
Base-Base interactions energy: -418.587
where: short stacking energy: -193.571
Base-Backbone interact. energy: -0.867
local terms energy: -214.090853
where:
bonds (distance) C4'-P energy: -42.406
bonds (distance) P-C4' energy: -42.721
flat angles C4'-P-C4' energy: -44.696
flat angles P-C4'-P energy: -33.051
tors. eta vs tors. theta energy: -51.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -635.804792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.804792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.804792 (E_RNA)
where:
Base-Base interactions energy: -424.311
where: short stacking energy: -187.118
Base-Backbone interact. energy: -0.372
local terms energy: -211.122205
where:
bonds (distance) C4'-P energy: -44.365
bonds (distance) P-C4' energy: -56.653
flat angles C4'-P-C4' energy: -46.990
flat angles P-C4'-P energy: -27.291
tors. eta vs tors. theta energy: -35.824
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: 8, replica: 8
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -574.118615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.118615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.118615 (E_RNA)
where:
Base-Base interactions energy: -367.670
where: short stacking energy: -174.116
Base-Backbone interact. energy: -0.713
local terms energy: -205.735817
where:
bonds (distance) C4'-P energy: -42.792
bonds (distance) P-C4' energy: -46.577
flat angles C4'-P-C4' energy: -47.249
flat angles P-C4'-P energy: -35.127
tors. eta vs tors. theta energy: -33.991
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: 9
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -302.026827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.026827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.026827 (E_RNA)
where:
Base-Base interactions energy: -134.396
where: short stacking energy: -69.634
Base-Backbone interact. energy: -0.699
local terms energy: -166.931993
where:
bonds (distance) C4'-P energy: -38.089
bonds (distance) P-C4' energy: -59.920
flat angles C4'-P-C4' energy: -43.629
flat angles P-C4'-P energy: -32.168
tors. eta vs tors. theta energy: 6.874
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: 10
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -315.526867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.526867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.526867 (E_RNA)
where:
Base-Base interactions energy: -154.955
where: short stacking energy: -101.103
Base-Backbone interact. energy: -0.162
local terms energy: -160.409347
where:
bonds (distance) C4'-P energy: -43.141
bonds (distance) P-C4' energy: -36.584
flat angles C4'-P-C4' energy: -42.675
flat angles P-C4'-P energy: -27.768
tors. eta vs tors. theta energy: -10.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -887.947467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.947467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.947467 (E_RNA)
where:
Base-Base interactions energy: -615.960
where: short stacking energy: -258.446
Base-Backbone interact. energy: -0.303
local terms energy: -271.684607
where:
bonds (distance) C4'-P energy: -53.541
bonds (distance) P-C4' energy: -53.724
flat angles C4'-P-C4' energy: -57.950
flat angles P-C4'-P energy: -40.954
tors. eta vs tors. theta energy: -65.516
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: 1
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -900.366141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.366141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.366141 (E_RNA)
where:
Base-Base interactions energy: -627.683
where: short stacking energy: -261.373
Base-Backbone interact. energy: -1.231
local terms energy: -271.452247
where:
bonds (distance) C4'-P energy: -54.885
bonds (distance) P-C4' energy: -54.376
flat angles C4'-P-C4' energy: -53.152
flat angles P-C4'-P energy: -36.238
tors. eta vs tors. theta energy: -72.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -848.290665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.290665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.290665 (E_RNA)
where:
Base-Base interactions energy: -603.623
where: short stacking energy: -246.387
Base-Backbone interact. energy: 0.721
local terms energy: -245.387972
where:
bonds (distance) C4'-P energy: -45.009
bonds (distance) P-C4' energy: -53.963
flat angles C4'-P-C4' energy: -44.032
flat angles P-C4'-P energy: -42.057
tors. eta vs tors. theta energy: -60.328
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: 4, replica: 5
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -821.060511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.060511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.060511 (E_RNA)
where:
Base-Base interactions energy: -558.955
where: short stacking energy: -232.897
Base-Backbone interact. energy: -1.236
local terms energy: -260.870234
where:
bonds (distance) C4'-P energy: -48.296
bonds (distance) P-C4' energy: -57.369
flat angles C4'-P-C4' energy: -53.983
flat angles P-C4'-P energy: -28.316
tors. eta vs tors. theta energy: -72.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -702.115560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.115560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.115560 (E_RNA)
where:
Base-Base interactions energy: -477.118
where: short stacking energy: -221.134
Base-Backbone interact. energy: -0.802
local terms energy: -224.195846
where:
bonds (distance) C4'-P energy: -44.966
bonds (distance) P-C4' energy: -49.241
flat angles C4'-P-C4' energy: -51.058
flat angles P-C4'-P energy: -25.409
tors. eta vs tors. theta energy: -53.523
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: 7
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -634.007208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.007208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.007208 (E_RNA)
where:
Base-Base interactions energy: -403.509
where: short stacking energy: -201.991
Base-Backbone interact. energy: 1.344
local terms energy: -231.843108
where:
bonds (distance) C4'-P energy: -53.188
bonds (distance) P-C4' energy: -48.125
flat angles C4'-P-C4' energy: -43.486
flat angles P-C4'-P energy: -35.235
tors. eta vs tors. theta energy: -51.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -598.821518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.821518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.821518 (E_RNA)
where:
Base-Base interactions energy: -395.597
where: short stacking energy: -179.349
Base-Backbone interact. energy: 0.860
local terms energy: -204.084432
where:
bonds (distance) C4'-P energy: -33.511
bonds (distance) P-C4' energy: -55.067
flat angles C4'-P-C4' energy: -42.813
flat angles P-C4'-P energy: -36.495
tors. eta vs tors. theta energy: -36.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -575.489415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.489415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.489415 (E_RNA)
where:
Base-Base interactions energy: -386.173
where: short stacking energy: -165.715
Base-Backbone interact. energy: 0.941
local terms energy: -190.256970
where:
bonds (distance) C4'-P energy: -50.898
bonds (distance) P-C4' energy: -50.641
flat angles C4'-P-C4' energy: -29.727
flat angles P-C4'-P energy: -17.877
tors. eta vs tors. theta energy: -41.114
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: 10
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -324.549834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.549834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.549834 (E_RNA)
where:
Base-Base interactions energy: -155.767
where: short stacking energy: -89.213
Base-Backbone interact. energy: -0.973
local terms energy: -167.809006
where:
bonds (distance) C4'-P energy: -45.809
bonds (distance) P-C4' energy: -46.220
flat angles C4'-P-C4' energy: -39.163
flat angles P-C4'-P energy: -28.380
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: 10, replica: 9
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -342.528567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.528567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.528567 (E_RNA)
where:
Base-Base interactions energy: -197.537
where: short stacking energy: -95.030
Base-Backbone interact. energy: -2.021
local terms energy: -142.970435
where:
bonds (distance) C4'-P energy: -40.533
bonds (distance) P-C4' energy: -38.356
flat angles C4'-P-C4' energy: -42.818
flat angles P-C4'-P energy: -20.087
tors. eta vs tors. theta energy: -1.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -885.158748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.158748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.158748 (E_RNA)
where:
Base-Base interactions energy: -595.741
where: short stacking energy: -259.429
Base-Backbone interact. energy: -2.118
local terms energy: -287.299393
where:
bonds (distance) C4'-P energy: -49.226
bonds (distance) P-C4' energy: -57.841
flat angles C4'-P-C4' energy: -60.935
flat angles P-C4'-P energy: -48.557
tors. eta vs tors. theta energy: -70.740
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: 2, replica: 3
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -866.298374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.298374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.298374 (E_RNA)
where:
Base-Base interactions energy: -607.299
where: short stacking energy: -260.493
Base-Backbone interact. energy: 0.379
local terms energy: -259.378644
where:
bonds (distance) C4'-P energy: -47.961
bonds (distance) P-C4' energy: -51.198
flat angles C4'-P-C4' energy: -58.544
flat angles P-C4'-P energy: -43.119
tors. eta vs tors. theta energy: -58.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -886.728930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.728930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.728930 (E_RNA)
where:
Base-Base interactions energy: -636.240
where: short stacking energy: -253.767
Base-Backbone interact. energy: 2.144
local terms energy: -252.632830
where:
bonds (distance) C4'-P energy: -42.716
bonds (distance) P-C4' energy: -47.529
flat angles C4'-P-C4' energy: -52.291
flat angles P-C4'-P energy: -39.643
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: 4, replica: 5
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -825.468814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.468814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.468814 (E_RNA)
where:
Base-Base interactions energy: -564.248
where: short stacking energy: -248.488
Base-Backbone interact. energy: -1.972
local terms energy: -259.249340
where:
bonds (distance) C4'-P energy: -52.454
bonds (distance) P-C4' energy: -45.697
flat angles C4'-P-C4' energy: -53.117
flat angles P-C4'-P energy: -39.436
tors. eta vs tors. theta energy: -68.546
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: 6
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -728.709598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.709598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.709598 (E_RNA)
where:
Base-Base interactions energy: -472.465
where: short stacking energy: -213.166
Base-Backbone interact. energy: -0.592
local terms energy: -255.652953
where:
bonds (distance) C4'-P energy: -51.845
bonds (distance) P-C4' energy: -53.841
flat angles C4'-P-C4' energy: -58.760
flat angles P-C4'-P energy: -38.267
tors. eta vs tors. theta energy: -52.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -664.362478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.362478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.362478 (E_RNA)
where:
Base-Base interactions energy: -448.146
where: short stacking energy: -199.652
Base-Backbone interact. energy: -1.080
local terms energy: -215.136279
where:
bonds (distance) C4'-P energy: -45.070
bonds (distance) P-C4' energy: -46.291
flat angles C4'-P-C4' energy: -45.631
flat angles P-C4'-P energy: -31.675
tors. eta vs tors. theta energy: -46.471
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: 2
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -622.578381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.578381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.578381 (E_RNA)
where:
Base-Base interactions energy: -402.303
where: short stacking energy: -178.423
Base-Backbone interact. energy: -0.890
local terms energy: -219.385452
where:
bonds (distance) C4'-P energy: -36.957
bonds (distance) P-C4' energy: -50.106
flat angles C4'-P-C4' energy: -50.125
flat angles P-C4'-P energy: -37.547
tors. eta vs tors. theta energy: -44.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -594.754471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.754471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.754471 (E_RNA)
where:
Base-Base interactions energy: -382.409
where: short stacking energy: -172.532
Base-Backbone interact. energy: -1.987
local terms energy: -210.359164
where:
bonds (distance) C4'-P energy: -41.513
bonds (distance) P-C4' energy: -60.204
flat angles C4'-P-C4' energy: -44.387
flat angles P-C4'-P energy: -32.555
tors. eta vs tors. theta energy: -31.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -321.555732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.555732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.555732 (E_RNA)
where:
Base-Base interactions energy: -146.787
where: short stacking energy: -95.114
Base-Backbone interact. energy: 1.222
local terms energy: -175.991041
where:
bonds (distance) C4'-P energy: -41.619
bonds (distance) P-C4' energy: -52.239
flat angles C4'-P-C4' energy: -41.561
flat angles P-C4'-P energy: -30.785
tors. eta vs tors. theta energy: -9.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -368.433234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.433234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.433234 (E_RNA)
where:
Base-Base interactions energy: -189.914
where: short stacking energy: -95.746
Base-Backbone interact. energy: 0.177
local terms energy: -178.696159
where:
bonds (distance) C4'-P energy: -41.536
bonds (distance) P-C4' energy: -52.287
flat angles C4'-P-C4' energy: -45.046
flat angles P-C4'-P energy: -31.646
tors. eta vs tors. theta energy: -8.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -908.172421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.172421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.172421 (E_RNA)
where:
Base-Base interactions energy: -611.523
where: short stacking energy: -265.502
Base-Backbone interact. energy: -2.016
local terms energy: -294.633298
where:
bonds (distance) C4'-P energy: -59.888
bonds (distance) P-C4' energy: -54.184
flat angles C4'-P-C4' energy: -60.543
flat angles P-C4'-P energy: -46.752
tors. eta vs tors. theta energy: -73.266
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: 3
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -889.146604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.146604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.146604 (E_RNA)
where:
Base-Base interactions energy: -626.045
where: short stacking energy: -259.387
Base-Backbone interact. energy: 1.995
local terms energy: -265.097181
where:
bonds (distance) C4'-P energy: -52.189
bonds (distance) P-C4' energy: -56.209
flat angles C4'-P-C4' energy: -58.898
flat angles P-C4'-P energy: -35.913
tors. eta vs tors. theta energy: -61.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -872.074762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.074762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.074762 (E_RNA)
where:
Base-Base interactions energy: -602.296
where: short stacking energy: -234.178
Base-Backbone interact. energy: -0.130
local terms energy: -269.648325
where:
bonds (distance) C4'-P energy: -46.006
bonds (distance) P-C4' energy: -54.342
flat angles C4'-P-C4' energy: -60.312
flat angles P-C4'-P energy: -42.770
tors. eta vs tors. theta energy: -66.219
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: 4, replica: 5
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -824.172214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.172214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.172214 (E_RNA)
where:
Base-Base interactions energy: -571.497
where: short stacking energy: -229.189
Base-Backbone interact. energy: -0.453
local terms energy: -252.222001
where:
bonds (distance) C4'-P energy: -39.642
bonds (distance) P-C4' energy: -52.192
flat angles C4'-P-C4' energy: -61.438
flat angles P-C4'-P energy: -31.373
tors. eta vs tors. theta energy: -67.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -728.455752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.455752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.455752 (E_RNA)
where:
Base-Base interactions energy: -480.489
where: short stacking energy: -228.944
Base-Backbone interact. energy: 0.739
local terms energy: -248.705414
where:
bonds (distance) C4'-P energy: -49.235
bonds (distance) P-C4' energy: -56.494
flat angles C4'-P-C4' energy: -50.889
flat angles P-C4'-P energy: -39.387
tors. eta vs tors. theta energy: -52.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -683.692172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.692172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.692172 (E_RNA)
where:
Base-Base interactions energy: -431.579
where: short stacking energy: -208.805
Base-Backbone interact. energy: -1.094
local terms energy: -251.019628
where:
bonds (distance) C4'-P energy: -53.533
bonds (distance) P-C4' energy: -52.107
flat angles C4'-P-C4' energy: -57.543
flat angles P-C4'-P energy: -38.502
tors. eta vs tors. theta energy: -49.335
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: 7, replica: 2
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -628.677723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.677723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.677723 (E_RNA)
where:
Base-Base interactions energy: -410.770
where: short stacking energy: -179.451
Base-Backbone interact. energy: -0.947
local terms energy: -216.960495
where:
bonds (distance) C4'-P energy: -38.320
bonds (distance) P-C4' energy: -55.437
flat angles C4'-P-C4' energy: -50.147
flat angles P-C4'-P energy: -36.419
tors. eta vs tors. theta energy: -36.638
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: 8
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -588.972024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.972024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.972024 (E_RNA)
where:
Base-Base interactions energy: -392.245
where: short stacking energy: -192.288
Base-Backbone interact. energy: -1.475
local terms energy: -195.252140
where:
bonds (distance) C4'-P energy: -38.885
bonds (distance) P-C4' energy: -48.432
flat angles C4'-P-C4' energy: -38.431
flat angles P-C4'-P energy: -24.225
tors. eta vs tors. theta energy: -45.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -399.687632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.687632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.687632 (E_RNA)
where:
Base-Base interactions energy: -234.446
where: short stacking energy: -113.545
Base-Backbone interact. energy: 0.817
local terms energy: -166.058111
where:
bonds (distance) C4'-P energy: -34.799
bonds (distance) P-C4' energy: -47.135
flat angles C4'-P-C4' energy: -36.998
flat angles P-C4'-P energy: -26.266
tors. eta vs tors. theta energy: -20.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -290.994439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.994439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.994439 (E_RNA)
where:
Base-Base interactions energy: -144.692
where: short stacking energy: -78.899
Base-Backbone interact. energy: 2.743
local terms energy: -149.045608
where:
bonds (distance) C4'-P energy: -42.875
bonds (distance) P-C4' energy: -40.182
flat angles C4'-P-C4' energy: -41.369
flat angles P-C4'-P energy: -21.288
tors. eta vs tors. theta energy: -3.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -906.962419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.962419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.962419 (E_RNA)
where:
Base-Base interactions energy: -622.930
where: short stacking energy: -265.005
Base-Backbone interact. energy: -0.866
local terms energy: -283.165803
where:
bonds (distance) C4'-P energy: -54.077
bonds (distance) P-C4' energy: -52.795
flat angles C4'-P-C4' energy: -55.156
flat angles P-C4'-P energy: -45.964
tors. eta vs tors. theta energy: -75.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -889.030094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.030094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.030094 (E_RNA)
where:
Base-Base interactions energy: -620.231
where: short stacking energy: -251.019
Base-Backbone interact. energy: -1.093
local terms energy: -267.706439
where:
bonds (distance) C4'-P energy: -51.199
bonds (distance) P-C4' energy: -52.784
flat angles C4'-P-C4' energy: -57.449
flat angles P-C4'-P energy: -39.132
tors. eta vs tors. theta energy: -67.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -867.354281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.354281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.354281 (E_RNA)
where:
Base-Base interactions energy: -616.885
where: short stacking energy: -265.088
Base-Backbone interact. energy: -1.149
local terms energy: -249.320451
where:
bonds (distance) C4'-P energy: -44.202
bonds (distance) P-C4' energy: -48.266
flat angles C4'-P-C4' energy: -58.228
flat angles P-C4'-P energy: -31.743
tors. eta vs tors. theta energy: -66.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -813.433607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.433607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.433607 (E_RNA)
where:
Base-Base interactions energy: -549.696
where: short stacking energy: -234.317
Base-Backbone interact. energy: 0.275
local terms energy: -264.012090
where:
bonds (distance) C4'-P energy: -47.526
bonds (distance) P-C4' energy: -50.625
flat angles C4'-P-C4' energy: -61.226
flat angles P-C4'-P energy: -36.703
tors. eta vs tors. theta energy: -67.933
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: 5, replica: 6
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -721.269339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.269339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.269339 (E_RNA)
where:
Base-Base interactions energy: -501.039
where: short stacking energy: -208.247
Base-Backbone interact. energy: -2.460
local terms energy: -217.770374
where:
bonds (distance) C4'-P energy: -51.355
bonds (distance) P-C4' energy: -43.133
flat angles C4'-P-C4' energy: -45.373
flat angles P-C4'-P energy: -25.558
tors. eta vs tors. theta energy: -52.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -651.016782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.016782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.016782 (E_RNA)
where:
Base-Base interactions energy: -416.728
where: short stacking energy: -210.634
Base-Backbone interact. energy: 1.989
local terms energy: -236.277137
where:
bonds (distance) C4'-P energy: -40.489
bonds (distance) P-C4' energy: -60.427
flat angles C4'-P-C4' energy: -53.053
flat angles P-C4'-P energy: -26.165
tors. eta vs tors. theta energy: -56.143
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: 2
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -671.980632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.980632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.980632 (E_RNA)
where:
Base-Base interactions energy: -456.069
where: short stacking energy: -186.032
Base-Backbone interact. energy: -0.543
local terms energy: -215.368891
where:
bonds (distance) C4'-P energy: -46.661
bonds (distance) P-C4' energy: -50.106
flat angles C4'-P-C4' energy: -41.922
flat angles P-C4'-P energy: -26.592
tors. eta vs tors. theta energy: -50.088
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: 8
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -593.798099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.798099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.798099 (E_RNA)
where:
Base-Base interactions energy: -387.046
where: short stacking energy: -166.603
Base-Backbone interact. energy: -0.192
local terms energy: -206.559933
where:
bonds (distance) C4'-P energy: -47.399
bonds (distance) P-C4' energy: -44.885
flat angles C4'-P-C4' energy: -48.197
flat angles P-C4'-P energy: -28.008
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: 9, replica: 9
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -406.514860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.514860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.514860 (E_RNA)
where:
Base-Base interactions energy: -238.567
where: short stacking energy: -123.914
Base-Backbone interact. energy: -1.598
local terms energy: -166.349773
where:
bonds (distance) C4'-P energy: -34.553
bonds (distance) P-C4' energy: -49.075
flat angles C4'-P-C4' energy: -39.755
flat angles P-C4'-P energy: -28.232
tors. eta vs tors. theta energy: -14.735
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: 10
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -313.019153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.019153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.019153 (E_RNA)
where:
Base-Base interactions energy: -180.426
where: short stacking energy: -98.162
Base-Backbone interact. energy: -0.671
local terms energy: -131.922458
where:
bonds (distance) C4'-P energy: -41.090
bonds (distance) P-C4' energy: -37.832
flat angles C4'-P-C4' energy: -31.991
flat angles P-C4'-P energy: -15.563
tors. eta vs tors. theta energy: -5.447
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: 4
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -901.031951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.031951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.031951 (E_RNA)
where:
Base-Base interactions energy: -618.767
where: short stacking energy: -272.727
Base-Backbone interact. energy: -1.600
local terms energy: -280.664868
where:
bonds (distance) C4'-P energy: -52.598
bonds (distance) P-C4' energy: -55.739
flat angles C4'-P-C4' energy: -55.271
flat angles P-C4'-P energy: -41.039
tors. eta vs tors. theta energy: -76.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -895.476951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.476951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.476951 (E_RNA)
where:
Base-Base interactions energy: -609.029
where: short stacking energy: -243.331
Base-Backbone interact. energy: -0.631
local terms energy: -285.816840
where:
bonds (distance) C4'-P energy: -50.728
bonds (distance) P-C4' energy: -60.995
flat angles C4'-P-C4' energy: -61.598
flat angles P-C4'-P energy: -41.326
tors. eta vs tors. theta energy: -71.171
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: 3
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -864.016700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.016700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.016700 (E_RNA)
where:
Base-Base interactions energy: -613.484
where: short stacking energy: -251.377
Base-Backbone interact. energy: -1.354
local terms energy: -249.179420
where:
bonds (distance) C4'-P energy: -47.228
bonds (distance) P-C4' energy: -43.827
flat angles C4'-P-C4' energy: -53.517
flat angles P-C4'-P energy: -37.054
tors. eta vs tors. theta energy: -67.552
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: 164
Temperature: 1.050000
Total energy: -819.693538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.693538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.693538 (E_RNA)
where:
Base-Base interactions energy: -558.718
where: short stacking energy: -231.632
Base-Backbone interact. energy: 1.363
local terms energy: -262.338846
where:
bonds (distance) C4'-P energy: -53.099
bonds (distance) P-C4' energy: -56.086
flat angles C4'-P-C4' energy: -51.837
flat angles P-C4'-P energy: -38.489
tors. eta vs tors. theta energy: -62.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -717.150305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.150305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.150305 (E_RNA)
where:
Base-Base interactions energy: -470.332
where: short stacking energy: -212.160
Base-Backbone interact. energy: 0.733
local terms energy: -247.550575
where:
bonds (distance) C4'-P energy: -49.152
bonds (distance) P-C4' energy: -47.912
flat angles C4'-P-C4' energy: -51.343
flat angles P-C4'-P energy: -38.203
tors. eta vs tors. theta energy: -60.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -638.329959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.329959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.329959 (E_RNA)
where:
Base-Base interactions energy: -405.471
where: short stacking energy: -189.281
Base-Backbone interact. energy: -0.786
local terms energy: -232.072901
where:
bonds (distance) C4'-P energy: -53.706
bonds (distance) P-C4' energy: -49.982
flat angles C4'-P-C4' energy: -46.356
flat angles P-C4'-P energy: -38.881
tors. eta vs tors. theta energy: -43.148
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: 2
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -643.592253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.592253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.592253 (E_RNA)
where:
Base-Base interactions energy: -414.748
where: short stacking energy: -170.043
Base-Backbone interact. energy: -0.513
local terms energy: -228.331771
where:
bonds (distance) C4'-P energy: -47.836
bonds (distance) P-C4' energy: -56.971
flat angles C4'-P-C4' energy: -54.869
flat angles P-C4'-P energy: -24.710
tors. eta vs tors. theta energy: -43.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -584.025437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.025437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.025437 (E_RNA)
where:
Base-Base interactions energy: -381.195
where: short stacking energy: -170.989
Base-Backbone interact. energy: -1.292
local terms energy: -201.538090
where:
bonds (distance) C4'-P energy: -50.685
bonds (distance) P-C4' energy: -36.251
flat angles C4'-P-C4' energy: -47.791
flat angles P-C4'-P energy: -32.708
tors. eta vs tors. theta energy: -34.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -401.287977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.287977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.287977 (E_RNA)
where:
Base-Base interactions energy: -221.017
where: short stacking energy: -113.678
Base-Backbone interact. energy: -1.350
local terms energy: -178.921139
where:
bonds (distance) C4'-P energy: -47.393
bonds (distance) P-C4' energy: -47.754
flat angles C4'-P-C4' energy: -34.915
flat angles P-C4'-P energy: -30.437
tors. eta vs tors. theta energy: -18.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -342.046823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.046823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.046823 (E_RNA)
where:
Base-Base interactions energy: -176.841
where: short stacking energy: -95.147
Base-Backbone interact. energy: 4.618
local terms energy: -169.824179
where:
bonds (distance) C4'-P energy: -47.738
bonds (distance) P-C4' energy: -47.557
flat angles C4'-P-C4' energy: -40.499
flat angles P-C4'-P energy: -25.181
tors. eta vs tors. theta energy: -8.850
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: 1, replica: 4
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -894.198506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.198506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.198506 (E_RNA)
where:
Base-Base interactions energy: -615.139
where: short stacking energy: -266.812
Base-Backbone interact. energy: -1.081
local terms energy: -277.978380
where:
bonds (distance) C4'-P energy: -59.870
bonds (distance) P-C4' energy: -49.423
flat angles C4'-P-C4' energy: -63.061
flat angles P-C4'-P energy: -30.266
tors. eta vs tors. theta energy: -75.359
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: 1
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -917.486134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.486134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.486134 (E_RNA)
where:
Base-Base interactions energy: -641.336
where: short stacking energy: -264.747
Base-Backbone interact. energy: -2.044
local terms energy: -274.106830
where:
bonds (distance) C4'-P energy: -49.009
bonds (distance) P-C4' energy: -57.249
flat angles C4'-P-C4' energy: -59.365
flat angles P-C4'-P energy: -40.528
tors. eta vs tors. theta energy: -67.955
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: 3, replica: 3
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -853.935210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.935210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.935210 (E_RNA)
where:
Base-Base interactions energy: -598.254
where: short stacking energy: -248.664
Base-Backbone interact. energy: -1.680
local terms energy: -254.000616
where:
bonds (distance) C4'-P energy: -40.280
bonds (distance) P-C4' energy: -56.650
flat angles C4'-P-C4' energy: -60.975
flat angles P-C4'-P energy: -32.702
tors. eta vs tors. theta energy: -63.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -818.171311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.171311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.171311 (E_RNA)
where:
Base-Base interactions energy: -558.553
where: short stacking energy: -239.238
Base-Backbone interact. energy: -0.759
local terms energy: -258.859784
where:
bonds (distance) C4'-P energy: -44.679
bonds (distance) P-C4' energy: -47.068
flat angles C4'-P-C4' energy: -55.833
flat angles P-C4'-P energy: -42.664
tors. eta vs tors. theta energy: -68.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -697.121102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.121102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.121102 (E_RNA)
where:
Base-Base interactions energy: -458.218
where: short stacking energy: -209.604
Base-Backbone interact. energy: -0.818
local terms energy: -238.084726
where:
bonds (distance) C4'-P energy: -45.661
bonds (distance) P-C4' energy: -50.561
flat angles C4'-P-C4' energy: -55.619
flat angles P-C4'-P energy: -36.661
tors. eta vs tors. theta energy: -49.582
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: 2
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -642.320240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.320240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.320240 (E_RNA)
where:
Base-Base interactions energy: -428.342
where: short stacking energy: -198.223
Base-Backbone interact. energy: -0.466
local terms energy: -213.511476
where:
bonds (distance) C4'-P energy: -39.403
bonds (distance) P-C4' energy: -47.310
flat angles C4'-P-C4' energy: -50.917
flat angles P-C4'-P energy: -21.694
tors. eta vs tors. theta energy: -54.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -615.502562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.502562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.502562 (E_RNA)
where:
Base-Base interactions energy: -384.259
where: short stacking energy: -190.861
Base-Backbone interact. energy: -1.257
local terms energy: -229.985695
where:
bonds (distance) C4'-P energy: -51.881
bonds (distance) P-C4' energy: -44.084
flat angles C4'-P-C4' energy: -56.101
flat angles P-C4'-P energy: -32.008
tors. eta vs tors. theta energy: -45.911
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: 8
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -579.799939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.799939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.799939 (E_RNA)
where:
Base-Base interactions energy: -370.439
where: short stacking energy: -171.649
Base-Backbone interact. energy: -1.320
local terms energy: -208.040262
where:
bonds (distance) C4'-P energy: -46.243
bonds (distance) P-C4' energy: -38.890
flat angles C4'-P-C4' energy: -52.300
flat angles P-C4'-P energy: -32.964
tors. eta vs tors. theta energy: -37.643
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: 9
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -340.203845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.203845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.203845 (E_RNA)
where:
Base-Base interactions energy: -167.081
where: short stacking energy: -94.389
Base-Backbone interact. energy: -1.184
local terms energy: -171.939563
where:
bonds (distance) C4'-P energy: -43.899
bonds (distance) P-C4' energy: -50.516
flat angles C4'-P-C4' energy: -45.195
flat angles P-C4'-P energy: -21.900
tors. eta vs tors. theta energy: -10.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -336.621859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.621859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.621859 (E_RNA)
where:
Base-Base interactions energy: -190.721
where: short stacking energy: -98.236
Base-Backbone interact. energy: -1.238
local terms energy: -144.662893
where:
bonds (distance) C4'-P energy: -29.417
bonds (distance) P-C4' energy: -50.922
flat angles C4'-P-C4' energy: -35.937
flat angles P-C4'-P energy: -23.397
tors. eta vs tors. theta energy: -4.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -915.431422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.431422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.431422 (E_RNA)
where:
Base-Base interactions energy: -646.592
where: short stacking energy: -267.856
Base-Backbone interact. energy: 0.976
local terms energy: -269.816183
where:
bonds (distance) C4'-P energy: -42.005
bonds (distance) P-C4' energy: -50.884
flat angles C4'-P-C4' energy: -63.755
flat angles P-C4'-P energy: -39.461
tors. eta vs tors. theta energy: -73.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -892.816902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.816902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.816902 (E_RNA)
where:
Base-Base interactions energy: -608.448
where: short stacking energy: -264.689
Base-Backbone interact. energy: -0.812
local terms energy: -283.556171
where:
bonds (distance) C4'-P energy: -52.352
bonds (distance) P-C4' energy: -51.942
flat angles C4'-P-C4' energy: -62.083
flat angles P-C4'-P energy: -44.625
tors. eta vs tors. theta energy: -72.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -861.780594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.780594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.780594 (E_RNA)
where:
Base-Base interactions energy: -576.863
where: short stacking energy: -245.681
Base-Backbone interact. energy: -2.060
local terms energy: -282.857859
where:
bonds (distance) C4'-P energy: -53.744
bonds (distance) P-C4' energy: -47.142
flat angles C4'-P-C4' energy: -61.561
flat angles P-C4'-P energy: -41.381
tors. eta vs tors. theta energy: -79.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -830.712492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.712492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.712492 (E_RNA)
where:
Base-Base interactions energy: -570.412
where: short stacking energy: -245.276
Base-Backbone interact. energy: -0.739
local terms energy: -259.561386
where:
bonds (distance) C4'-P energy: -50.946
bonds (distance) P-C4' energy: -50.409
flat angles C4'-P-C4' energy: -53.465
flat angles P-C4'-P energy: -39.855
tors. eta vs tors. theta energy: -64.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -687.174647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.174647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.174647 (E_RNA)
where:
Base-Base interactions energy: -466.830
where: short stacking energy: -202.167
Base-Backbone interact. energy: 5.631
local terms energy: -225.976340
where:
bonds (distance) C4'-P energy: -45.001
bonds (distance) P-C4' energy: -51.663
flat angles C4'-P-C4' energy: -49.447
flat angles P-C4'-P energy: -26.490
tors. eta vs tors. theta energy: -53.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -685.933172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.933172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.933172 (E_RNA)
where:
Base-Base interactions energy: -447.000
where: short stacking energy: -187.358
Base-Backbone interact. energy: -1.786
local terms energy: -237.146804
where:
bonds (distance) C4'-P energy: -47.222
bonds (distance) P-C4' energy: -47.798
flat angles C4'-P-C4' energy: -54.998
flat angles P-C4'-P energy: -36.729
tors. eta vs tors. theta energy: -50.399
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: 7
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -628.762523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.762523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.762523 (E_RNA)
where:
Base-Base interactions energy: -425.133
where: short stacking energy: -182.971
Base-Backbone interact. energy: 0.436
local terms energy: -204.066152
where:
bonds (distance) C4'-P energy: -44.577
bonds (distance) P-C4' energy: -39.529
flat angles C4'-P-C4' energy: -56.689
flat angles P-C4'-P energy: -26.645
tors. eta vs tors. theta energy: -36.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -559.034273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.034273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.034273 (E_RNA)
where:
Base-Base interactions energy: -368.935
where: short stacking energy: -161.602
Base-Backbone interact. energy: 0.942
local terms energy: -191.041266
where:
bonds (distance) C4'-P energy: -48.704
bonds (distance) P-C4' energy: -39.329
flat angles C4'-P-C4' energy: -45.365
flat angles P-C4'-P energy: -26.801
tors. eta vs tors. theta energy: -30.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -324.006134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.006134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.006134 (E_RNA)
where:
Base-Base interactions energy: -164.965
where: short stacking energy: -89.767
Base-Backbone interact. energy: -1.725
local terms energy: -157.316350
where:
bonds (distance) C4'-P energy: -43.211
bonds (distance) P-C4' energy: -45.777
flat angles C4'-P-C4' energy: -35.580
flat angles P-C4'-P energy: -30.653
tors. eta vs tors. theta energy: -2.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -339.073453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.073453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.073453 (E_RNA)
where:
Base-Base interactions energy: -180.487
where: short stacking energy: -92.380
Base-Backbone interact. energy: 0.485
local terms energy: -159.071211
where:
bonds (distance) C4'-P energy: -47.391
bonds (distance) P-C4' energy: -50.636
flat angles C4'-P-C4' energy: -37.546
flat angles P-C4'-P energy: -20.064
tors. eta vs tors. theta energy: -3.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -919.502902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.502902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.502902 (E_RNA)
where:
Base-Base interactions energy: -642.835
where: short stacking energy: -267.786
Base-Backbone interact. energy: 1.837
local terms energy: -278.505037
where:
bonds (distance) C4'-P energy: -46.040
bonds (distance) P-C4' energy: -58.706
flat angles C4'-P-C4' energy: -57.714
flat angles P-C4'-P energy: -43.092
tors. eta vs tors. theta energy: -72.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -888.035176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.035176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.035176 (E_RNA)
where:
Base-Base interactions energy: -610.476
where: short stacking energy: -268.820
Base-Backbone interact. energy: -1.561
local terms energy: -275.998015
where:
bonds (distance) C4'-P energy: -49.609
bonds (distance) P-C4' energy: -51.020
flat angles C4'-P-C4' energy: -57.877
flat angles P-C4'-P energy: -41.204
tors. eta vs tors. theta energy: -76.288
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: 167
Temperature: 1.000000
Total energy: -882.822338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.822338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.822338 (E_RNA)
where:
Base-Base interactions energy: -598.946
where: short stacking energy: -253.972
Base-Backbone interact. energy: -0.847
local terms energy: -283.028966
where:
bonds (distance) C4'-P energy: -51.926
bonds (distance) P-C4' energy: -58.021
flat angles C4'-P-C4' energy: -60.639
flat angles P-C4'-P energy: -38.145
tors. eta vs tors. theta energy: -74.297
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: 3
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -837.140645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.140645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.140645 (E_RNA)
where:
Base-Base interactions energy: -588.082
where: short stacking energy: -244.498
Base-Backbone interact. energy: -0.862
local terms energy: -248.197085
where:
bonds (distance) C4'-P energy: -46.794
bonds (distance) P-C4' energy: -45.103
flat angles C4'-P-C4' energy: -56.707
flat angles P-C4'-P energy: -36.501
tors. eta vs tors. theta energy: -63.093
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: 6
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -687.418839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.418839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.418839 (E_RNA)
where:
Base-Base interactions energy: -458.591
where: short stacking energy: -202.296
Base-Backbone interact. energy: 2.522
local terms energy: -231.349412
where:
bonds (distance) C4'-P energy: -45.377
bonds (distance) P-C4' energy: -50.163
flat angles C4'-P-C4' energy: -49.695
flat angles P-C4'-P energy: -30.774
tors. eta vs tors. theta energy: -55.340
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: 6, replica: 2
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -655.277573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.277573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.277573 (E_RNA)
where:
Base-Base interactions energy: -460.094
where: short stacking energy: -184.493
Base-Backbone interact. energy: -1.251
local terms energy: -193.932622
where:
bonds (distance) C4'-P energy: -37.559
bonds (distance) P-C4' energy: -57.946
flat angles C4'-P-C4' energy: -44.346
flat angles P-C4'-P energy: -19.209
tors. eta vs tors. theta energy: -34.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -649.819161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.819161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.819161 (E_RNA)
where:
Base-Base interactions energy: -431.426
where: short stacking energy: -202.597
Base-Backbone interact. energy: 0.842
local terms energy: -219.235317
where:
bonds (distance) C4'-P energy: -44.404
bonds (distance) P-C4' energy: -44.343
flat angles C4'-P-C4' energy: -53.338
flat angles P-C4'-P energy: -29.862
tors. eta vs tors. theta energy: -47.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -569.731215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.731215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.731215 (E_RNA)
where:
Base-Base interactions energy: -357.052
where: short stacking energy: -159.504
Base-Backbone interact. energy: -0.877
local terms energy: -211.802214
where:
bonds (distance) C4'-P energy: -51.473
bonds (distance) P-C4' energy: -42.836
flat angles C4'-P-C4' energy: -48.738
flat angles P-C4'-P energy: -31.444
tors. eta vs tors. theta energy: -37.311
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: 10
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -313.957867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.957867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.957867 (E_RNA)
where:
Base-Base interactions energy: -157.227
where: short stacking energy: -93.159
Base-Backbone interact. energy: 2.031
local terms energy: -158.761799
where:
bonds (distance) C4'-P energy: -49.657
bonds (distance) P-C4' energy: -48.396
flat angles C4'-P-C4' energy: -44.966
flat angles P-C4'-P energy: -19.939
tors. eta vs tors. theta energy: 4.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -313.999519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.999519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.999519 (E_RNA)
where:
Base-Base interactions energy: -180.571
where: short stacking energy: -92.951
Base-Backbone interact. energy: -0.903
local terms energy: -132.525479
where:
bonds (distance) C4'-P energy: -45.768
bonds (distance) P-C4' energy: -37.068
flat angles C4'-P-C4' energy: -37.653
flat angles P-C4'-P energy: -14.336
tors. eta vs tors. theta energy: 2.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -909.777464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.777464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.777464 (E_RNA)
where:
Base-Base interactions energy: -632.938
where: short stacking energy: -258.276
Base-Backbone interact. energy: -0.843
local terms energy: -275.995998
where:
bonds (distance) C4'-P energy: -50.845
bonds (distance) P-C4' energy: -50.595
flat angles C4'-P-C4' energy: -59.534
flat angles P-C4'-P energy: -40.203
tors. eta vs tors. theta energy: -74.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -883.534388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.534388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.534388 (E_RNA)
where:
Base-Base interactions energy: -610.895
where: short stacking energy: -259.732
Base-Backbone interact. energy: 0.208
local terms energy: -272.846674
where:
bonds (distance) C4'-P energy: -46.139
bonds (distance) P-C4' energy: -55.998
flat angles C4'-P-C4' energy: -62.519
flat angles P-C4'-P energy: -39.485
tors. eta vs tors. theta energy: -68.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -869.008595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.008595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.008595 (E_RNA)
where:
Base-Base interactions energy: -610.320
where: short stacking energy: -254.417
Base-Backbone interact. energy: -0.061
local terms energy: -258.626995
where:
bonds (distance) C4'-P energy: -42.801
bonds (distance) P-C4' energy: -37.592
flat angles C4'-P-C4' energy: -61.662
flat angles P-C4'-P energy: -44.750
tors. eta vs tors. theta energy: -71.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -810.062078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.062078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.062078 (E_RNA)
where:
Base-Base interactions energy: -556.698
where: short stacking energy: -234.712
Base-Backbone interact. energy: -0.671
local terms energy: -252.693168
where:
bonds (distance) C4'-P energy: -53.422
bonds (distance) P-C4' energy: -52.234
flat angles C4'-P-C4' energy: -56.218
flat angles P-C4'-P energy: -32.489
tors. eta vs tors. theta energy: -58.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -705.144403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.144403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.144403 (E_RNA)
where:
Base-Base interactions energy: -450.447
where: short stacking energy: -192.903
Base-Backbone interact. energy: -0.313
local terms energy: -254.384990
where:
bonds (distance) C4'-P energy: -47.263
bonds (distance) P-C4' energy: -55.662
flat angles C4'-P-C4' energy: -52.894
flat angles P-C4'-P energy: -44.117
tors. eta vs tors. theta energy: -54.448
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: 6
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -663.780296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.780296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.780296 (E_RNA)
where:
Base-Base interactions energy: -434.928
where: short stacking energy: -191.213
Base-Backbone interact. energy: -0.472
local terms energy: -228.380689
where:
bonds (distance) C4'-P energy: -44.027
bonds (distance) P-C4' energy: -49.417
flat angles C4'-P-C4' energy: -58.313
flat angles P-C4'-P energy: -33.493
tors. eta vs tors. theta energy: -43.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -588.031849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.031849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.031849 (E_RNA)
where:
Base-Base interactions energy: -381.439
where: short stacking energy: -191.013
Base-Backbone interact. energy: -0.346
local terms energy: -206.246936
where:
bonds (distance) C4'-P energy: -45.974
bonds (distance) P-C4' energy: -44.313
flat angles C4'-P-C4' energy: -38.979
flat angles P-C4'-P energy: -30.417
tors. eta vs tors. theta energy: -46.563
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: 8
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -570.604821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.604821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.604821 (E_RNA)
where:
Base-Base interactions energy: -384.450
where: short stacking energy: -168.667
Base-Backbone interact. energy: -1.438
local terms energy: -184.716584
where:
bonds (distance) C4'-P energy: -28.430
bonds (distance) P-C4' energy: -43.294
flat angles C4'-P-C4' energy: -51.215
flat angles P-C4'-P energy: -31.629
tors. eta vs tors. theta energy: -30.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -307.749318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.749318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.749318 (E_RNA)
where:
Base-Base interactions energy: -139.042
where: short stacking energy: -87.993
Base-Backbone interact. energy: -1.383
local terms energy: -167.323841
where:
bonds (distance) C4'-P energy: -37.588
bonds (distance) P-C4' energy: -58.987
flat angles C4'-P-C4' energy: -33.245
flat angles P-C4'-P energy: -33.288
tors. eta vs tors. theta energy: -4.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -226.809460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.809460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.809460 (E_RNA)
where:
Base-Base interactions energy: -81.538
where: short stacking energy: -72.639
Base-Backbone interact. energy: -1.748
local terms energy: -143.523244
where:
bonds (distance) C4'-P energy: -49.394
bonds (distance) P-C4' energy: -47.433
flat angles C4'-P-C4' energy: -36.673
flat angles P-C4'-P energy: -8.391
tors. eta vs tors. theta energy: -1.632
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: 1, replica: 1
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -929.837357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.837357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.837357 (E_RNA)
where:
Base-Base interactions energy: -651.815
where: short stacking energy: -265.544
Base-Backbone interact. energy: -0.773
local terms energy: -277.249038
where:
bonds (distance) C4'-P energy: -49.051
bonds (distance) P-C4' energy: -54.167
flat angles C4'-P-C4' energy: -58.113
flat angles P-C4'-P energy: -43.424
tors. eta vs tors. theta energy: -72.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -869.950255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.950255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.950255 (E_RNA)
where:
Base-Base interactions energy: -599.309
where: short stacking energy: -262.555
Base-Backbone interact. energy: 1.701
local terms energy: -272.341545
where:
bonds (distance) C4'-P energy: -53.313
bonds (distance) P-C4' energy: -49.521
flat angles C4'-P-C4' energy: -56.540
flat angles P-C4'-P energy: -41.469
tors. eta vs tors. theta energy: -71.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -869.638543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.638543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.638543 (E_RNA)
where:
Base-Base interactions energy: -605.961
where: short stacking energy: -253.656
Base-Backbone interact. energy: -1.474
local terms energy: -262.202645
where:
bonds (distance) C4'-P energy: -47.506
bonds (distance) P-C4' energy: -44.857
flat angles C4'-P-C4' energy: -53.288
flat angles P-C4'-P energy: -42.260
tors. eta vs tors. theta energy: -74.292
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: 3
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -783.653136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.653136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.653136 (E_RNA)
where:
Base-Base interactions energy: -552.358
where: short stacking energy: -231.220
Base-Backbone interact. energy: -0.015
local terms energy: -231.279945
where:
bonds (distance) C4'-P energy: -52.200
bonds (distance) P-C4' energy: -49.088
flat angles C4'-P-C4' energy: -47.804
flat angles P-C4'-P energy: -26.074
tors. eta vs tors. theta energy: -56.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -706.896888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.896888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.896888 (E_RNA)
where:
Base-Base interactions energy: -474.217
where: short stacking energy: -183.588
Base-Backbone interact. energy: -0.994
local terms energy: -231.685745
where:
bonds (distance) C4'-P energy: -51.541
bonds (distance) P-C4' energy: -48.239
flat angles C4'-P-C4' energy: -50.916
flat angles P-C4'-P energy: -34.451
tors. eta vs tors. theta energy: -46.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -664.092077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.092077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.092077 (E_RNA)
where:
Base-Base interactions energy: -434.543
where: short stacking energy: -191.529
Base-Backbone interact. energy: -0.570
local terms energy: -228.979253
where:
bonds (distance) C4'-P energy: -48.422
bonds (distance) P-C4' energy: -50.210
flat angles C4'-P-C4' energy: -53.267
flat angles P-C4'-P energy: -31.306
tors. eta vs tors. theta energy: -45.774
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: 7, replica: 7
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -588.272439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.272439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.272439 (E_RNA)
where:
Base-Base interactions energy: -378.863
where: short stacking energy: -169.645
Base-Backbone interact. energy: -0.518
local terms energy: -208.891178
where:
bonds (distance) C4'-P energy: -38.347
bonds (distance) P-C4' energy: -54.251
flat angles C4'-P-C4' energy: -45.638
flat angles P-C4'-P energy: -34.464
tors. eta vs tors. theta energy: -36.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -561.351498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.351498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.351498 (E_RNA)
where:
Base-Base interactions energy: -361.064
where: short stacking energy: -160.730
Base-Backbone interact. energy: -0.188
local terms energy: -200.099487
where:
bonds (distance) C4'-P energy: -42.612
bonds (distance) P-C4' energy: -52.628
flat angles C4'-P-C4' energy: -47.939
flat angles P-C4'-P energy: -30.962
tors. eta vs tors. theta energy: -25.958
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: 10
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -319.495742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.495742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.495742 (E_RNA)
where:
Base-Base interactions energy: -166.675
where: short stacking energy: -87.174
Base-Backbone interact. energy: -0.887
local terms energy: -151.933916
where:
bonds (distance) C4'-P energy: -43.400
bonds (distance) P-C4' energy: -42.323
flat angles C4'-P-C4' energy: -35.250
flat angles P-C4'-P energy: -29.525
tors. eta vs tors. theta energy: -1.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -244.156277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.156277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.156277 (E_RNA)
where:
Base-Base interactions energy: -89.247
where: short stacking energy: -64.065
Base-Backbone interact. energy: -0.182
local terms energy: -154.727637
where:
bonds (distance) C4'-P energy: -37.006
bonds (distance) P-C4' energy: -53.095
flat angles C4'-P-C4' energy: -38.770
flat angles P-C4'-P energy: -23.140
tors. eta vs tors. theta energy: -2.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -925.274396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.274396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.274396 (E_RNA)
where:
Base-Base interactions energy: -644.187
where: short stacking energy: -269.027
Base-Backbone interact. energy: -1.983
local terms energy: -279.104297
where:
bonds (distance) C4'-P energy: -48.847
bonds (distance) P-C4' energy: -54.999
flat angles C4'-P-C4' energy: -55.262
flat angles P-C4'-P energy: -44.879
tors. eta vs tors. theta energy: -75.118
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: 2, replica: 4
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -881.693207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.693207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.693207 (E_RNA)
where:
Base-Base interactions energy: -606.508
where: short stacking energy: -266.544
Base-Backbone interact. energy: -0.549
local terms energy: -274.636318
where:
bonds (distance) C4'-P energy: -52.284
bonds (distance) P-C4' energy: -50.275
flat angles C4'-P-C4' energy: -62.239
flat angles P-C4'-P energy: -43.358
tors. eta vs tors. theta energy: -66.481
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: 5
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -891.370252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.370252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.370252 (E_RNA)
where:
Base-Base interactions energy: -617.119
where: short stacking energy: -270.038
Base-Backbone interact. energy: 0.826
local terms energy: -275.077178
where:
bonds (distance) C4'-P energy: -51.909
bonds (distance) P-C4' energy: -54.188
flat angles C4'-P-C4' energy: -57.038
flat angles P-C4'-P energy: -39.002
tors. eta vs tors. theta energy: -72.940
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: 3
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -777.574989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.574989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.574989 (E_RNA)
where:
Base-Base interactions energy: -522.285
where: short stacking energy: -233.925
Base-Backbone interact. energy: -0.495
local terms energy: -254.795246
where:
bonds (distance) C4'-P energy: -50.837
bonds (distance) P-C4' energy: -39.898
flat angles C4'-P-C4' energy: -56.113
flat angles P-C4'-P energy: -38.456
tors. eta vs tors. theta energy: -69.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -690.781722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.781722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.781722 (E_RNA)
where:
Base-Base interactions energy: -479.065
where: short stacking energy: -194.957
Base-Backbone interact. energy: 1.401
local terms energy: -213.117395
where:
bonds (distance) C4'-P energy: -34.051
bonds (distance) P-C4' energy: -48.531
flat angles C4'-P-C4' energy: -50.960
flat angles P-C4'-P energy: -34.509
tors. eta vs tors. theta energy: -45.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -643.325339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.325339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.325339 (E_RNA)
where:
Base-Base interactions energy: -431.962
where: short stacking energy: -190.668
Base-Backbone interact. energy: 0.088
local terms energy: -211.451433
where:
bonds (distance) C4'-P energy: -34.053
bonds (distance) P-C4' energy: -51.257
flat angles C4'-P-C4' energy: -50.681
flat angles P-C4'-P energy: -29.248
tors. eta vs tors. theta energy: -46.213
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: 7, replica: 7
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -615.128309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.128309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.128309 (E_RNA)
where:
Base-Base interactions energy: -411.054
where: short stacking energy: -179.839
Base-Backbone interact. energy: 1.754
local terms energy: -205.828220
where:
bonds (distance) C4'-P energy: -44.411
bonds (distance) P-C4' energy: -44.225
flat angles C4'-P-C4' energy: -39.754
flat angles P-C4'-P energy: -35.889
tors. eta vs tors. theta energy: -41.549
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: 8
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -561.627200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.627200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.627200 (E_RNA)
where:
Base-Base interactions energy: -372.788
where: short stacking energy: -163.782
Base-Backbone interact. energy: -1.326
local terms energy: -187.513086
where:
bonds (distance) C4'-P energy: -38.657
bonds (distance) P-C4' energy: -38.176
flat angles C4'-P-C4' energy: -48.238
flat angles P-C4'-P energy: -31.420
tors. eta vs tors. theta energy: -31.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -319.741255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.741255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.741255 (E_RNA)
where:
Base-Base interactions energy: -149.647
where: short stacking energy: -98.359
Base-Backbone interact. energy: -0.406
local terms energy: -169.688384
where:
bonds (distance) C4'-P energy: -43.949
bonds (distance) P-C4' energy: -50.691
flat angles C4'-P-C4' energy: -37.674
flat angles P-C4'-P energy: -21.151
tors. eta vs tors. theta energy: -16.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -241.900839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.900839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.900839 (E_RNA)
where:
Base-Base interactions energy: -91.897
where: short stacking energy: -76.523
Base-Backbone interact. energy: -1.718
local terms energy: -148.285859
where:
bonds (distance) C4'-P energy: -33.845
bonds (distance) P-C4' energy: -38.712
flat angles C4'-P-C4' energy: -45.417
flat angles P-C4'-P energy: -32.349
tors. eta vs tors. theta energy: 2.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -915.782139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.782139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.782139 (E_RNA)
where:
Base-Base interactions energy: -628.215
where: short stacking energy: -264.740
Base-Backbone interact. energy: 1.350
local terms energy: -288.916957
where:
bonds (distance) C4'-P energy: -60.511
bonds (distance) P-C4' energy: -50.561
flat angles C4'-P-C4' energy: -61.444
flat angles P-C4'-P energy: -42.504
tors. eta vs tors. theta energy: -73.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -874.956821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.956821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.956821 (E_RNA)
where:
Base-Base interactions energy: -597.322
where: short stacking energy: -262.537
Base-Backbone interact. energy: -0.830
local terms energy: -276.804073
where:
bonds (distance) C4'-P energy: -53.855
bonds (distance) P-C4' energy: -52.513
flat angles C4'-P-C4' energy: -59.644
flat angles P-C4'-P energy: -36.399
tors. eta vs tors. theta energy: -74.392
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: 5
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -870.436827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.436827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.436827 (E_RNA)
where:
Base-Base interactions energy: -596.256
where: short stacking energy: -257.007
Base-Backbone interact. energy: -0.628
local terms energy: -273.552495
where:
bonds (distance) C4'-P energy: -43.349
bonds (distance) P-C4' energy: -54.850
flat angles C4'-P-C4' energy: -57.451
flat angles P-C4'-P energy: -42.118
tors. eta vs tors. theta energy: -75.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -781.096004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.096004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.096004 (E_RNA)
where:
Base-Base interactions energy: -543.150
where: short stacking energy: -231.761
Base-Backbone interact. energy: -1.284
local terms energy: -236.661656
where:
bonds (distance) C4'-P energy: -41.192
bonds (distance) P-C4' energy: -52.093
flat angles C4'-P-C4' energy: -58.875
flat angles P-C4'-P energy: -34.910
tors. eta vs tors. theta energy: -49.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -693.071377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.071377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.071377 (E_RNA)
where:
Base-Base interactions energy: -451.673
where: short stacking energy: -198.713
Base-Backbone interact. energy: -0.259
local terms energy: -241.139092
where:
bonds (distance) C4'-P energy: -48.141
bonds (distance) P-C4' energy: -46.942
flat angles C4'-P-C4' energy: -53.756
flat angles P-C4'-P energy: -44.716
tors. eta vs tors. theta energy: -47.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -691.092280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.092280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.092280 (E_RNA)
where:
Base-Base interactions energy: -459.115
where: short stacking energy: -194.762
Base-Backbone interact. energy: -0.605
local terms energy: -231.372679
where:
bonds (distance) C4'-P energy: -35.441
bonds (distance) P-C4' energy: -55.888
flat angles C4'-P-C4' energy: -47.556
flat angles P-C4'-P energy: -38.200
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: 7, replica: 7
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -584.384699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.384699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.384699 (E_RNA)
where:
Base-Base interactions energy: -376.066
where: short stacking energy: -158.622
Base-Backbone interact. energy: 3.401
local terms energy: -211.720135
where:
bonds (distance) C4'-P energy: -42.262
bonds (distance) P-C4' energy: -49.174
flat angles C4'-P-C4' energy: -55.009
flat angles P-C4'-P energy: -34.504
tors. eta vs tors. theta energy: -30.772
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: 8
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -577.465597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.465597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.465597 (E_RNA)
where:
Base-Base interactions energy: -373.160
where: short stacking energy: -170.633
Base-Backbone interact. energy: -0.139
local terms energy: -204.166581
where:
bonds (distance) C4'-P energy: -47.262
bonds (distance) P-C4' energy: -43.714
flat angles C4'-P-C4' energy: -51.414
flat angles P-C4'-P energy: -19.690
tors. eta vs tors. theta energy: -42.087
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: 10
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -330.422714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.422714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.422714 (E_RNA)
where:
Base-Base interactions energy: -168.157
where: short stacking energy: -114.769
Base-Backbone interact. energy: -0.282
local terms energy: -161.983417
where:
bonds (distance) C4'-P energy: -45.617
bonds (distance) P-C4' energy: -44.416
flat angles C4'-P-C4' energy: -38.400
flat angles P-C4'-P energy: -13.120
tors. eta vs tors. theta energy: -20.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -251.097643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.097643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.097643 (E_RNA)
where:
Base-Base interactions energy: -90.753
where: short stacking energy: -60.380
Base-Backbone interact. energy: 0.139
local terms energy: -160.483035
where:
bonds (distance) C4'-P energy: -50.158
bonds (distance) P-C4' energy: -53.897
flat angles C4'-P-C4' energy: -39.977
flat angles P-C4'-P energy: -14.878
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: 1
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -919.042042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.042042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.042042 (E_RNA)
where:
Base-Base interactions energy: -629.557
where: short stacking energy: -255.549
Base-Backbone interact. energy: -2.009
local terms energy: -287.476044
where:
bonds (distance) C4'-P energy: -57.253
bonds (distance) P-C4' energy: -54.850
flat angles C4'-P-C4' energy: -58.843
flat angles P-C4'-P energy: -39.794
tors. eta vs tors. theta energy: -76.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -874.535771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.535771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.535771 (E_RNA)
where:
Base-Base interactions energy: -616.650
where: short stacking energy: -258.595
Base-Backbone interact. energy: 0.525
local terms energy: -258.410718
where:
bonds (distance) C4'-P energy: -49.075
bonds (distance) P-C4' energy: -50.168
flat angles C4'-P-C4' energy: -60.043
flat angles P-C4'-P energy: -35.041
tors. eta vs tors. theta energy: -64.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -855.842343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.842343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.842343 (E_RNA)
where:
Base-Base interactions energy: -586.203
where: short stacking energy: -246.446
Base-Backbone interact. energy: -0.101
local terms energy: -269.537901
where:
bonds (distance) C4'-P energy: -53.648
bonds (distance) P-C4' energy: -56.612
flat angles C4'-P-C4' energy: -48.795
flat angles P-C4'-P energy: -34.823
tors. eta vs tors. theta energy: -75.660
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: 4, replica: 3
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -762.277062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.277062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.277062 (E_RNA)
where:
Base-Base interactions energy: -511.890
where: short stacking energy: -222.336
Base-Backbone interact. energy: -1.933
local terms energy: -248.454463
where:
bonds (distance) C4'-P energy: -54.465
bonds (distance) P-C4' energy: -41.096
flat angles C4'-P-C4' energy: -52.849
flat angles P-C4'-P energy: -39.175
tors. eta vs tors. theta energy: -60.869
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: 6
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -694.442538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.442538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.442538 (E_RNA)
where:
Base-Base interactions energy: -460.784
where: short stacking energy: -213.669
Base-Backbone interact. energy: -1.103
local terms energy: -232.555822
where:
bonds (distance) C4'-P energy: -45.839
bonds (distance) P-C4' energy: -45.857
flat angles C4'-P-C4' energy: -59.857
flat angles P-C4'-P energy: -23.808
tors. eta vs tors. theta energy: -57.194
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: 2
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -650.156025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.156025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.156025 (E_RNA)
where:
Base-Base interactions energy: -411.515
where: short stacking energy: -176.282
Base-Backbone interact. energy: -0.463
local terms energy: -238.178250
where:
bonds (distance) C4'-P energy: -43.555
bonds (distance) P-C4' energy: -58.532
flat angles C4'-P-C4' energy: -52.807
flat angles P-C4'-P energy: -33.814
tors. eta vs tors. theta energy: -49.470
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: 7, replica: 8
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -617.707367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.707367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.707367 (E_RNA)
where:
Base-Base interactions energy: -383.443
where: short stacking energy: -178.890
Base-Backbone interact. energy: 1.103
local terms energy: -235.367362
where:
bonds (distance) C4'-P energy: -45.779
bonds (distance) P-C4' energy: -49.559
flat angles C4'-P-C4' energy: -58.677
flat angles P-C4'-P energy: -36.093
tors. eta vs tors. theta energy: -45.260
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: 7
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -543.853250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.853250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.853250 (E_RNA)
where:
Base-Base interactions energy: -347.090
where: short stacking energy: -156.211
Base-Backbone interact. energy: -0.542
local terms energy: -196.221217
where:
bonds (distance) C4'-P energy: -40.204
bonds (distance) P-C4' energy: -52.349
flat angles C4'-P-C4' energy: -41.926
flat angles P-C4'-P energy: -24.357
tors. eta vs tors. theta energy: -37.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -325.368772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.368772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.368772 (E_RNA)
where:
Base-Base interactions energy: -171.213
where: short stacking energy: -98.218
Base-Backbone interact. energy: -0.516
local terms energy: -153.639978
where:
bonds (distance) C4'-P energy: -44.360
bonds (distance) P-C4' energy: -41.568
flat angles C4'-P-C4' energy: -38.764
flat angles P-C4'-P energy: -17.800
tors. eta vs tors. theta energy: -11.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -226.705644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.705644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.705644 (E_RNA)
where:
Base-Base interactions energy: -91.389
where: short stacking energy: -59.844
Base-Backbone interact. energy: 3.490
local terms energy: -138.806574
where:
bonds (distance) C4'-P energy: -40.953
bonds (distance) P-C4' energy: -52.196
flat angles C4'-P-C4' energy: -31.202
flat angles P-C4'-P energy: -29.780
tors. eta vs tors. theta energy: 15.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -922.105964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.105964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.105964 (E_RNA)
where:
Base-Base interactions energy: -651.515
where: short stacking energy: -268.451
Base-Backbone interact. energy: -0.585
local terms energy: -270.006370
where:
bonds (distance) C4'-P energy: -54.283
bonds (distance) P-C4' energy: -56.348
flat angles C4'-P-C4' energy: -51.973
flat angles P-C4'-P energy: -38.433
tors. eta vs tors. theta energy: -68.969
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: 4
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -890.602142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.602142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.602142 (E_RNA)
where:
Base-Base interactions energy: -608.931
where: short stacking energy: -268.390
Base-Backbone interact. energy: -1.059
local terms energy: -280.612214
where:
bonds (distance) C4'-P energy: -50.896
bonds (distance) P-C4' energy: -55.303
flat angles C4'-P-C4' energy: -58.207
flat angles P-C4'-P energy: -44.638
tors. eta vs tors. theta energy: -71.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -844.723873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.723873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.723873 (E_RNA)
where:
Base-Base interactions energy: -584.096
where: short stacking energy: -240.796
Base-Backbone interact. energy: 0.048
local terms energy: -260.675553
where:
bonds (distance) C4'-P energy: -45.669
bonds (distance) P-C4' energy: -49.302
flat angles C4'-P-C4' energy: -51.964
flat angles P-C4'-P energy: -41.273
tors. eta vs tors. theta energy: -72.467
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: 4, replica: 3
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -782.670760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.670760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.670760 (E_RNA)
where:
Base-Base interactions energy: -551.769
where: short stacking energy: -229.598
Base-Backbone interact. energy: -1.544
local terms energy: -229.357568
where:
bonds (distance) C4'-P energy: -46.696
bonds (distance) P-C4' energy: -38.705
flat angles C4'-P-C4' energy: -55.294
flat angles P-C4'-P energy: -29.873
tors. eta vs tors. theta energy: -58.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -719.947854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.947854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.947854 (E_RNA)
where:
Base-Base interactions energy: -492.874
where: short stacking energy: -208.678
Base-Backbone interact. energy: -0.086
local terms energy: -226.987540
where:
bonds (distance) C4'-P energy: -34.340
bonds (distance) P-C4' energy: -46.728
flat angles C4'-P-C4' energy: -59.143
flat angles P-C4'-P energy: -32.454
tors. eta vs tors. theta energy: -54.322
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: 8
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -619.603698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.603698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.603698 (E_RNA)
where:
Base-Base interactions energy: -406.319
where: short stacking energy: -193.229
Base-Backbone interact. energy: -0.056
local terms energy: -213.228874
where:
bonds (distance) C4'-P energy: -39.443
bonds (distance) P-C4' energy: -48.527
flat angles C4'-P-C4' energy: -51.455
flat angles P-C4'-P energy: -23.813
tors. eta vs tors. theta energy: -49.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -676.513399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.513399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.513399 (E_RNA)
where:
Base-Base interactions energy: -446.825
where: short stacking energy: -198.833
Base-Backbone interact. energy: 2.253
local terms energy: -231.940477
where:
bonds (distance) C4'-P energy: -55.193
bonds (distance) P-C4' energy: -45.991
flat angles C4'-P-C4' energy: -52.150
flat angles P-C4'-P energy: -26.432
tors. eta vs tors. theta energy: -52.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -565.759016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.759016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.759016 (E_RNA)
where:
Base-Base interactions energy: -366.414
where: short stacking energy: -170.800
Base-Backbone interact. energy: -0.075
local terms energy: -199.270125
where:
bonds (distance) C4'-P energy: -38.132
bonds (distance) P-C4' energy: -48.469
flat angles C4'-P-C4' energy: -42.622
flat angles P-C4'-P energy: -32.153
tors. eta vs tors. theta energy: -37.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -297.332726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.332726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.332726 (E_RNA)
where:
Base-Base interactions energy: -160.879
where: short stacking energy: -94.817
Base-Backbone interact. energy: 5.393
local terms energy: -141.846548
where:
bonds (distance) C4'-P energy: -45.502
bonds (distance) P-C4' energy: -45.918
flat angles C4'-P-C4' energy: -32.608
flat angles P-C4'-P energy: -18.098
tors. eta vs tors. theta energy: 0.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -266.639958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.639958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.639958 (E_RNA)
where:
Base-Base interactions energy: -109.160
where: short stacking energy: -74.660
Base-Backbone interact. energy: -1.366
local terms energy: -156.114228
where:
bonds (distance) C4'-P energy: -30.278
bonds (distance) P-C4' energy: -52.151
flat angles C4'-P-C4' energy: -41.768
flat angles P-C4'-P energy: -22.750
tors. eta vs tors. theta energy: -9.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -909.574975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.574975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.574975 (E_RNA)
where:
Base-Base interactions energy: -623.622
where: short stacking energy: -271.957
Base-Backbone interact. energy: -2.466
local terms energy: -283.487450
where:
bonds (distance) C4'-P energy: -59.416
bonds (distance) P-C4' energy: -60.468
flat angles C4'-P-C4' energy: -54.070
flat angles P-C4'-P energy: -41.114
tors. eta vs tors. theta energy: -68.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -905.486156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.486156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.486156 (E_RNA)
where:
Base-Base interactions energy: -637.044
where: short stacking energy: -265.864
Base-Backbone interact. energy: 7.591
local terms energy: -276.033271
where:
bonds (distance) C4'-P energy: -48.271
bonds (distance) P-C4' energy: -52.317
flat angles C4'-P-C4' energy: -65.673
flat angles P-C4'-P energy: -39.932
tors. eta vs tors. theta energy: -69.841
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: 3, replica: 5
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -863.703948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.703948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.703948 (E_RNA)
where:
Base-Base interactions energy: -596.394
where: short stacking energy: -250.411
Base-Backbone interact. energy: -2.712
local terms energy: -264.597773
where:
bonds (distance) C4'-P energy: -52.848
bonds (distance) P-C4' energy: -52.553
flat angles C4'-P-C4' energy: -54.828
flat angles P-C4'-P energy: -31.372
tors. eta vs tors. theta energy: -72.997
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: 4, replica: 3
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -802.357916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.357916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.357916 (E_RNA)
where:
Base-Base interactions energy: -546.456
where: short stacking energy: -257.408
Base-Backbone interact. energy: 2.022
local terms energy: -257.923355
where:
bonds (distance) C4'-P energy: -51.285
bonds (distance) P-C4' energy: -55.297
flat angles C4'-P-C4' energy: -54.306
flat angles P-C4'-P energy: -36.848
tors. eta vs tors. theta energy: -60.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -744.210848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.210848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.210848 (E_RNA)
where:
Base-Base interactions energy: -501.990
where: short stacking energy: -204.379
Base-Backbone interact. energy: -0.873
local terms energy: -241.347865
where:
bonds (distance) C4'-P energy: -53.002
bonds (distance) P-C4' energy: -54.236
flat angles C4'-P-C4' energy: -42.072
flat angles P-C4'-P energy: -37.035
tors. eta vs tors. theta energy: -55.003
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: 6, replica: 8
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -628.369249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.369249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.369249 (E_RNA)
where:
Base-Base interactions energy: -398.653
where: short stacking energy: -188.938
Base-Backbone interact. energy: 0.765
local terms energy: -230.480923
where:
bonds (distance) C4'-P energy: -43.445
bonds (distance) P-C4' energy: -52.789
flat angles C4'-P-C4' energy: -48.336
flat angles P-C4'-P energy: -46.270
tors. eta vs tors. theta energy: -39.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -659.106307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.106307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.106307 (E_RNA)
where:
Base-Base interactions energy: -431.475
where: short stacking energy: -171.561
Base-Backbone interact. energy: -2.002
local terms energy: -225.630183
where:
bonds (distance) C4'-P energy: -42.579
bonds (distance) P-C4' energy: -56.017
flat angles C4'-P-C4' energy: -47.027
flat angles P-C4'-P energy: -34.503
tors. eta vs tors. theta energy: -45.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -544.447246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.447246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.447246 (E_RNA)
where:
Base-Base interactions energy: -344.136
where: short stacking energy: -150.339
Base-Backbone interact. energy: -1.785
local terms energy: -198.526051
where:
bonds (distance) C4'-P energy: -40.631
bonds (distance) P-C4' energy: -54.071
flat angles C4'-P-C4' energy: -44.350
flat angles P-C4'-P energy: -32.903
tors. eta vs tors. theta energy: -26.571
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: 9, replica: 10
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -357.136804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.136804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.136804 (E_RNA)
where:
Base-Base interactions energy: -216.852
where: short stacking energy: -106.605
Base-Backbone interact. energy: -0.437
local terms energy: -139.847762
where:
bonds (distance) C4'-P energy: -35.193
bonds (distance) P-C4' energy: -45.000
flat angles C4'-P-C4' energy: -38.270
flat angles P-C4'-P energy: -11.065
tors. eta vs tors. theta energy: -10.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -225.128180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.128180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.128180 (E_RNA)
where:
Base-Base interactions energy: -71.572
where: short stacking energy: -60.742
Base-Backbone interact. energy: -1.213
local terms energy: -152.342626
where:
bonds (distance) C4'-P energy: -50.080
bonds (distance) P-C4' energy: -44.645
flat angles C4'-P-C4' energy: -37.047
flat angles P-C4'-P energy: -26.834
tors. eta vs tors. theta energy: 6.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -896.240790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.240790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.240790 (E_RNA)
where:
Base-Base interactions energy: -621.232
where: short stacking energy: -262.247
Base-Backbone interact. energy: -0.984
local terms energy: -274.025160
where:
bonds (distance) C4'-P energy: -52.383
bonds (distance) P-C4' energy: -54.085
flat angles C4'-P-C4' energy: -60.191
flat angles P-C4'-P energy: -38.771
tors. eta vs tors. theta energy: -68.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -915.890889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.890889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.890889 (E_RNA)
where:
Base-Base interactions energy: -637.268
where: short stacking energy: -254.602
Base-Backbone interact. energy: -1.303
local terms energy: -277.320667
where:
bonds (distance) C4'-P energy: -45.028
bonds (distance) P-C4' energy: -59.042
flat angles C4'-P-C4' energy: -65.765
flat angles P-C4'-P energy: -38.729
tors. eta vs tors. theta energy: -68.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -872.963210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.963210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.963210 (E_RNA)
where:
Base-Base interactions energy: -614.504
where: short stacking energy: -272.404
Base-Backbone interact. energy: -0.863
local terms energy: -257.595905
where:
bonds (distance) C4'-P energy: -50.289
bonds (distance) P-C4' energy: -43.737
flat angles C4'-P-C4' energy: -54.528
flat angles P-C4'-P energy: -35.783
tors. eta vs tors. theta energy: -73.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -773.505189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.505189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.505189 (E_RNA)
where:
Base-Base interactions energy: -516.087
where: short stacking energy: -216.024
Base-Backbone interact. energy: -0.989
local terms energy: -256.429037
where:
bonds (distance) C4'-P energy: -52.118
bonds (distance) P-C4' energy: -52.775
flat angles C4'-P-C4' energy: -55.793
flat angles P-C4'-P energy: -36.926
tors. eta vs tors. theta energy: -58.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -742.262255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.262255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.262255 (E_RNA)
where:
Base-Base interactions energy: -505.516
where: short stacking energy: -217.542
Base-Backbone interact. energy: 1.163
local terms energy: -237.909252
where:
bonds (distance) C4'-P energy: -47.507
bonds (distance) P-C4' energy: -47.062
flat angles C4'-P-C4' energy: -51.500
flat angles P-C4'-P energy: -31.587
tors. eta vs tors. theta energy: -60.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -664.971820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.971820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.971820 (E_RNA)
where:
Base-Base interactions energy: -434.562
where: short stacking energy: -189.627
Base-Backbone interact. energy: -0.872
local terms energy: -229.537523
where:
bonds (distance) C4'-P energy: -51.669
bonds (distance) P-C4' energy: -48.649
flat angles C4'-P-C4' energy: -47.331
flat angles P-C4'-P energy: -33.075
tors. eta vs tors. theta energy: -48.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -619.592234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.592234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.592234 (E_RNA)
where:
Base-Base interactions energy: -409.111
where: short stacking energy: -176.319
Base-Backbone interact. energy: -1.590
local terms energy: -208.891233
where:
bonds (distance) C4'-P energy: -50.326
bonds (distance) P-C4' energy: -44.889
flat angles C4'-P-C4' energy: -42.919
flat angles P-C4'-P energy: -33.055
tors. eta vs tors. theta energy: -37.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -568.351295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.351295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.351295 (E_RNA)
where:
Base-Base interactions energy: -365.712
where: short stacking energy: -163.749
Base-Backbone interact. energy: -2.465
local terms energy: -200.174719
where:
bonds (distance) C4'-P energy: -47.862
bonds (distance) P-C4' energy: -33.291
flat angles C4'-P-C4' energy: -42.471
flat angles P-C4'-P energy: -39.667
tors. eta vs tors. theta energy: -36.883
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: 10
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -403.449181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.449181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.449181 (E_RNA)
where:
Base-Base interactions energy: -227.381
where: short stacking energy: -119.924
Base-Backbone interact. energy: -1.762
local terms energy: -174.306224
where:
bonds (distance) C4'-P energy: -34.864
bonds (distance) P-C4' energy: -48.196
flat angles C4'-P-C4' energy: -52.291
flat angles P-C4'-P energy: -21.245
tors. eta vs tors. theta energy: -17.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -219.957608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.957608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.957608 (E_RNA)
where:
Base-Base interactions energy: -84.964
where: short stacking energy: -62.527
Base-Backbone interact. energy: 3.526
local terms energy: -138.519641
where:
bonds (distance) C4'-P energy: -38.828
bonds (distance) P-C4' energy: -39.374
flat angles C4'-P-C4' energy: -46.056
flat angles P-C4'-P energy: -29.772
tors. eta vs tors. theta energy: 15.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -891.692623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.692623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.692623 (E_RNA)
where:
Base-Base interactions energy: -619.449
where: short stacking energy: -262.523
Base-Backbone interact. energy: 0.868
local terms energy: -273.111793
where:
bonds (distance) C4'-P energy: -46.679
bonds (distance) P-C4' energy: -52.384
flat angles C4'-P-C4' energy: -58.465
flat angles P-C4'-P energy: -42.753
tors. eta vs tors. theta energy: -72.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -881.334362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.334362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.334362 (E_RNA)
where:
Base-Base interactions energy: -621.334
where: short stacking energy: -260.798
Base-Backbone interact. energy: -2.874
local terms energy: -257.126118
where:
bonds (distance) C4'-P energy: -48.718
bonds (distance) P-C4' energy: -51.444
flat angles C4'-P-C4' energy: -50.774
flat angles P-C4'-P energy: -32.703
tors. eta vs tors. theta energy: -73.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -848.467224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.467224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.467224 (E_RNA)
where:
Base-Base interactions energy: -593.365
where: short stacking energy: -255.317
Base-Backbone interact. energy: -2.559
local terms energy: -252.542930
where:
bonds (distance) C4'-P energy: -51.091
bonds (distance) P-C4' energy: -39.606
flat angles C4'-P-C4' energy: -55.479
flat angles P-C4'-P energy: -34.960
tors. eta vs tors. theta energy: -71.407
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: 176
Temperature: 1.050000
Total energy: -770.582328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.582328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.582328 (E_RNA)
where:
Base-Base interactions energy: -522.909
where: short stacking energy: -220.180
Base-Backbone interact. energy: -0.979
local terms energy: -246.694236
where:
bonds (distance) C4'-P energy: -52.227
bonds (distance) P-C4' energy: -46.685
flat angles C4'-P-C4' energy: -51.080
flat angles P-C4'-P energy: -35.569
tors. eta vs tors. theta energy: -61.133
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: 6
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -738.175849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.175849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.175849 (E_RNA)
where:
Base-Base interactions energy: -485.131
where: short stacking energy: -221.392
Base-Backbone interact. energy: -1.100
local terms energy: -251.944712
where:
bonds (distance) C4'-P energy: -48.842
bonds (distance) P-C4' energy: -53.283
flat angles C4'-P-C4' energy: -54.276
flat angles P-C4'-P energy: -39.665
tors. eta vs tors. theta energy: -55.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -657.965744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.965744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.965744 (E_RNA)
where:
Base-Base interactions energy: -442.609
where: short stacking energy: -164.823
Base-Backbone interact. energy: -1.068
local terms energy: -214.288536
where:
bonds (distance) C4'-P energy: -48.228
bonds (distance) P-C4' energy: -55.388
flat angles C4'-P-C4' energy: -46.327
flat angles P-C4'-P energy: -31.777
tors. eta vs tors. theta energy: -32.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -628.091173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.091173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.091173 (E_RNA)
where:
Base-Base interactions energy: -416.221
where: short stacking energy: -203.401
Base-Backbone interact. energy: 0.607
local terms energy: -212.477251
where:
bonds (distance) C4'-P energy: -44.092
bonds (distance) P-C4' energy: -42.007
flat angles C4'-P-C4' energy: -52.604
flat angles P-C4'-P energy: -24.003
tors. eta vs tors. theta energy: -49.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -595.711029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.711029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.711029 (E_RNA)
where:
Base-Base interactions energy: -380.481
where: short stacking energy: -178.643
Base-Backbone interact. energy: -0.701
local terms energy: -214.528369
where:
bonds (distance) C4'-P energy: -39.631
bonds (distance) P-C4' energy: -45.526
flat angles C4'-P-C4' energy: -48.591
flat angles P-C4'-P energy: -29.905
tors. eta vs tors. theta energy: -50.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -374.375906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.375906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.375906 (E_RNA)
where:
Base-Base interactions energy: -201.639
where: short stacking energy: -108.687
Base-Backbone interact. energy: -1.230
local terms energy: -171.506620
where:
bonds (distance) C4'-P energy: -44.893
bonds (distance) P-C4' energy: -45.070
flat angles C4'-P-C4' energy: -38.446
flat angles P-C4'-P energy: -29.392
tors. eta vs tors. theta energy: -13.706
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: 10, replica: 9
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -229.786884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.786884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.786884 (E_RNA)
where:
Base-Base interactions energy: -83.539
where: short stacking energy: -79.027
Base-Backbone interact. energy: -0.184
local terms energy: -146.062963
where:
bonds (distance) C4'-P energy: -51.462
bonds (distance) P-C4' energy: -45.305
flat angles C4'-P-C4' energy: -41.807
flat angles P-C4'-P energy: -10.844
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: 4
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -913.948436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.948436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.948436 (E_RNA)
where:
Base-Base interactions energy: -630.131
where: short stacking energy: -281.227
Base-Backbone interact. energy: 0.873
local terms energy: -284.690857
where:
bonds (distance) C4'-P energy: -47.523
bonds (distance) P-C4' energy: -55.298
flat angles C4'-P-C4' energy: -62.393
flat angles P-C4'-P energy: -43.093
tors. eta vs tors. theta energy: -76.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -917.721523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.721523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.721523 (E_RNA)
where:
Base-Base interactions energy: -640.908
where: short stacking energy: -271.505
Base-Backbone interact. energy: -1.038
local terms energy: -275.775117
where:
bonds (distance) C4'-P energy: -47.065
bonds (distance) P-C4' energy: -53.659
flat angles C4'-P-C4' energy: -62.783
flat angles P-C4'-P energy: -39.506
tors. eta vs tors. theta energy: -72.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -851.789297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.789297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.789297 (E_RNA)
where:
Base-Base interactions energy: -582.530
where: short stacking energy: -246.436
Base-Backbone interact. energy: 0.626
local terms energy: -269.884776
where:
bonds (distance) C4'-P energy: -48.109
bonds (distance) P-C4' energy: -55.842
flat angles C4'-P-C4' energy: -60.968
flat angles P-C4'-P energy: -37.136
tors. eta vs tors. theta energy: -67.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -771.972512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.972512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.972512 (E_RNA)
where:
Base-Base interactions energy: -529.266
where: short stacking energy: -227.907
Base-Backbone interact. energy: -0.396
local terms energy: -242.310835
where:
bonds (distance) C4'-P energy: -50.903
bonds (distance) P-C4' energy: -50.833
flat angles C4'-P-C4' energy: -47.616
flat angles P-C4'-P energy: -31.865
tors. eta vs tors. theta energy: -61.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -720.137826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.137826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.137826 (E_RNA)
where:
Base-Base interactions energy: -489.289
where: short stacking energy: -196.050
Base-Backbone interact. energy: -0.259
local terms energy: -230.589656
where:
bonds (distance) C4'-P energy: -42.547
bonds (distance) P-C4' energy: -53.229
flat angles C4'-P-C4' energy: -48.913
flat angles P-C4'-P energy: -34.797
tors. eta vs tors. theta energy: -51.105
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: 6, replica: 2
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -682.979663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.979663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.979663 (E_RNA)
where:
Base-Base interactions energy: -446.306
where: short stacking energy: -180.484
Base-Backbone interact. energy: -0.129
local terms energy: -236.545112
where:
bonds (distance) C4'-P energy: -57.396
bonds (distance) P-C4' energy: -46.487
flat angles C4'-P-C4' energy: -45.628
flat angles P-C4'-P energy: -33.512
tors. eta vs tors. theta energy: -53.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -618.330197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.330197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.330197 (E_RNA)
where:
Base-Base interactions energy: -399.678
where: short stacking energy: -179.917
Base-Backbone interact. energy: -0.798
local terms energy: -217.854525
where:
bonds (distance) C4'-P energy: -46.366
bonds (distance) P-C4' energy: -41.947
flat angles C4'-P-C4' energy: -52.172
flat angles P-C4'-P energy: -44.236
tors. eta vs tors. theta energy: -33.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -591.334968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.334968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.334968 (E_RNA)
where:
Base-Base interactions energy: -368.315
where: short stacking energy: -181.036
Base-Backbone interact. energy: 0.374
local terms energy: -223.394660
where:
bonds (distance) C4'-P energy: -38.544
bonds (distance) P-C4' energy: -54.788
flat angles C4'-P-C4' energy: -52.308
flat angles P-C4'-P energy: -31.169
tors. eta vs tors. theta energy: -46.586
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: 10
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -395.806263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.806263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.806263 (E_RNA)
where:
Base-Base interactions energy: -231.418
where: short stacking energy: -110.287
Base-Backbone interact. energy: -0.826
local terms energy: -163.561957
where:
bonds (distance) C4'-P energy: -27.884
bonds (distance) P-C4' energy: -44.817
flat angles C4'-P-C4' energy: -54.669
flat angles P-C4'-P energy: -26.183
tors. eta vs tors. theta energy: -10.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -216.648292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.648292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.648292 (E_RNA)
where:
Base-Base interactions energy: -80.384
where: short stacking energy: -67.603
Base-Backbone interact. energy: 0.264
local terms energy: -136.528738
where:
bonds (distance) C4'-P energy: -39.533
bonds (distance) P-C4' energy: -46.901
flat angles C4'-P-C4' energy: -44.471
flat angles P-C4'-P energy: -15.269
tors. eta vs tors. theta energy: 9.645
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: 178
Temperature: 0.900000
Total energy: -924.398767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.398767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.398767 (E_RNA)
where:
Base-Base interactions energy: -637.600
where: short stacking energy: -270.113
Base-Backbone interact. energy: -0.325
local terms energy: -286.474105
where:
bonds (distance) C4'-P energy: -51.074
bonds (distance) P-C4' energy: -58.416
flat angles C4'-P-C4' energy: -64.691
flat angles P-C4'-P energy: -38.148
tors. eta vs tors. theta energy: -74.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -893.133697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.133697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.133697 (E_RNA)
where:
Base-Base interactions energy: -600.045
where: short stacking energy: -254.890
Base-Backbone interact. energy: -0.636
local terms energy: -292.452335
where:
bonds (distance) C4'-P energy: -52.891
bonds (distance) P-C4' energy: -59.792
flat angles C4'-P-C4' energy: -57.025
flat angles P-C4'-P energy: -41.921
tors. eta vs tors. theta energy: -80.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -888.218243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.218243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.218243 (E_RNA)
where:
Base-Base interactions energy: -618.408
where: short stacking energy: -267.817
Base-Backbone interact. energy: -2.906
local terms energy: -266.903909
where:
bonds (distance) C4'-P energy: -45.677
bonds (distance) P-C4' energy: -48.713
flat angles C4'-P-C4' energy: -59.209
flat angles P-C4'-P energy: -41.732
tors. eta vs tors. theta energy: -71.573
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: 3
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -801.269725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.269725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.269725 (E_RNA)
where:
Base-Base interactions energy: -560.296
where: short stacking energy: -239.155
Base-Backbone interact. energy: -0.443
local terms energy: -240.530616
where:
bonds (distance) C4'-P energy: -36.090
bonds (distance) P-C4' energy: -55.357
flat angles C4'-P-C4' energy: -53.219
flat angles P-C4'-P energy: -30.394
tors. eta vs tors. theta energy: -65.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -712.785576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.785576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.785576 (E_RNA)
where:
Base-Base interactions energy: -493.178
where: short stacking energy: -211.163
Base-Backbone interact. energy: -0.452
local terms energy: -219.155936
where:
bonds (distance) C4'-P energy: -46.147
bonds (distance) P-C4' energy: -38.374
flat angles C4'-P-C4' energy: -45.669
flat angles P-C4'-P energy: -34.106
tors. eta vs tors. theta energy: -54.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -706.112299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.112299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.112299 (E_RNA)
where:
Base-Base interactions energy: -456.560
where: short stacking energy: -215.051
Base-Backbone interact. energy: -2.857
local terms energy: -246.694448
where:
bonds (distance) C4'-P energy: -48.391
bonds (distance) P-C4' energy: -39.322
flat angles C4'-P-C4' energy: -58.629
flat angles P-C4'-P energy: -39.847
tors. eta vs tors. theta energy: -60.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -610.732705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.732705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.732705 (E_RNA)
where:
Base-Base interactions energy: -398.426
where: short stacking energy: -201.828
Base-Backbone interact. energy: -0.392
local terms energy: -211.913952
where:
bonds (distance) C4'-P energy: -46.021
bonds (distance) P-C4' energy: -43.427
flat angles C4'-P-C4' energy: -46.606
flat angles P-C4'-P energy: -32.671
tors. eta vs tors. theta energy: -43.189
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: 8, replica: 7
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -569.191750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.191750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.191750 (E_RNA)
where:
Base-Base interactions energy: -358.717
where: short stacking energy: -156.970
Base-Backbone interact. energy: 0.025
local terms energy: -210.499767
where:
bonds (distance) C4'-P energy: -45.632
bonds (distance) P-C4' energy: -46.118
flat angles C4'-P-C4' energy: -45.153
flat angles P-C4'-P energy: -38.772
tors. eta vs tors. theta energy: -34.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -366.894876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.894876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.894876 (E_RNA)
where:
Base-Base interactions energy: -194.748
where: short stacking energy: -104.400
Base-Backbone interact. energy: -0.942
local terms energy: -171.205298
where:
bonds (distance) C4'-P energy: -49.125
bonds (distance) P-C4' energy: -47.211
flat angles C4'-P-C4' energy: -30.025
flat angles P-C4'-P energy: -30.700
tors. eta vs tors. theta energy: -14.144
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: 9
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -232.615780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.615780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.615780 (E_RNA)
where:
Base-Base interactions energy: -96.300
where: short stacking energy: -73.752
Base-Backbone interact. energy: -0.926
local terms energy: -135.389428
where:
bonds (distance) C4'-P energy: -40.391
bonds (distance) P-C4' energy: -39.305
flat angles C4'-P-C4' energy: -37.379
flat angles P-C4'-P energy: -21.267
tors. eta vs tors. theta energy: 2.953
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: 1, replica: 1
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -918.384725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.384725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.384725 (E_RNA)
where:
Base-Base interactions energy: -632.835
where: short stacking energy: -285.517
Base-Backbone interact. energy: -1.642
local terms energy: -283.907865
where:
bonds (distance) C4'-P energy: -48.692
bonds (distance) P-C4' energy: -55.381
flat angles C4'-P-C4' energy: -57.822
flat angles P-C4'-P energy: -40.501
tors. eta vs tors. theta energy: -81.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -895.188738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.188738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.188738 (E_RNA)
where:
Base-Base interactions energy: -615.458
where: short stacking energy: -263.432
Base-Backbone interact. energy: -2.933
local terms energy: -276.797719
where:
bonds (distance) C4'-P energy: -50.105
bonds (distance) P-C4' energy: -52.985
flat angles C4'-P-C4' energy: -61.370
flat angles P-C4'-P energy: -41.199
tors. eta vs tors. theta energy: -71.138
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: 4
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -871.624546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.624546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.624546 (E_RNA)
where:
Base-Base interactions energy: -594.030
where: short stacking energy: -255.023
Base-Backbone interact. energy: -0.300
local terms energy: -277.294604
where:
bonds (distance) C4'-P energy: -55.778
bonds (distance) P-C4' energy: -53.141
flat angles C4'-P-C4' energy: -56.181
flat angles P-C4'-P energy: -39.056
tors. eta vs tors. theta energy: -73.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -802.934121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.934121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.934121 (E_RNA)
where:
Base-Base interactions energy: -558.409
where: short stacking energy: -227.957
Base-Backbone interact. energy: -1.583
local terms energy: -242.942433
where:
bonds (distance) C4'-P energy: -47.983
bonds (distance) P-C4' energy: -52.986
flat angles C4'-P-C4' energy: -48.908
flat angles P-C4'-P energy: -31.037
tors. eta vs tors. theta energy: -62.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -692.230066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.230066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.230066 (E_RNA)
where:
Base-Base interactions energy: -456.874
where: short stacking energy: -215.993
Base-Backbone interact. energy: -1.971
local terms energy: -233.385187
where:
bonds (distance) C4'-P energy: -40.261
bonds (distance) P-C4' energy: -52.065
flat angles C4'-P-C4' energy: -48.368
flat angles P-C4'-P energy: -33.119
tors. eta vs tors. theta energy: -59.572
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: 6, replica: 6
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -681.404416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.404416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.404416 (E_RNA)
where:
Base-Base interactions energy: -458.722
where: short stacking energy: -211.373
Base-Backbone interact. energy: -0.395
local terms energy: -222.286841
where:
bonds (distance) C4'-P energy: -50.898
bonds (distance) P-C4' energy: -46.196
flat angles C4'-P-C4' energy: -54.034
flat angles P-C4'-P energy: -16.147
tors. eta vs tors. theta energy: -55.011
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: 8
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -629.615647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.615647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.615647 (E_RNA)
where:
Base-Base interactions energy: -402.176
where: short stacking energy: -202.248
Base-Backbone interact. energy: -1.402
local terms energy: -226.036706
where:
bonds (distance) C4'-P energy: -42.518
bonds (distance) P-C4' energy: -47.413
flat angles C4'-P-C4' energy: -50.641
flat angles P-C4'-P energy: -31.941
tors. eta vs tors. theta energy: -53.524
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: 7
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -588.830812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.830812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.830812 (E_RNA)
where:
Base-Base interactions energy: -377.199
where: short stacking energy: -163.578
Base-Backbone interact. energy: -0.255
local terms energy: -211.377030
where:
bonds (distance) C4'-P energy: -53.081
bonds (distance) P-C4' energy: -49.087
flat angles C4'-P-C4' energy: -44.788
flat angles P-C4'-P energy: -35.309
tors. eta vs tors. theta energy: -29.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -371.813197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.813197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.813197 (E_RNA)
where:
Base-Base interactions energy: -224.560
where: short stacking energy: -105.870
Base-Backbone interact. energy: -1.152
local terms energy: -146.100753
where:
bonds (distance) C4'-P energy: -34.173
bonds (distance) P-C4' energy: -39.897
flat angles C4'-P-C4' energy: -46.018
flat angles P-C4'-P energy: -20.503
tors. eta vs tors. theta energy: -5.509
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: 9
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -237.521630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.521630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.521630 (E_RNA)
where:
Base-Base interactions energy: -81.983
where: short stacking energy: -71.601
Base-Backbone interact. energy: 1.287
local terms energy: -156.825685
where:
bonds (distance) C4'-P energy: -51.991
bonds (distance) P-C4' energy: -51.124
flat angles C4'-P-C4' energy: -31.659
flat angles P-C4'-P energy: -24.451
tors. eta vs tors. theta energy: 2.399
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: 1
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -921.024478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.024478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.024478 (E_RNA)
where:
Base-Base interactions energy: -636.647
where: short stacking energy: -266.654
Base-Backbone interact. energy: -2.239
local terms energy: -282.138708
where:
bonds (distance) C4'-P energy: -56.092
bonds (distance) P-C4' energy: -55.023
flat angles C4'-P-C4' energy: -64.220
flat angles P-C4'-P energy: -40.521
tors. eta vs tors. theta energy: -66.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -874.951833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.951833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.951833 (E_RNA)
where:
Base-Base interactions energy: -598.024
where: short stacking energy: -245.103
Base-Backbone interact. energy: 0.074
local terms energy: -277.001170
where:
bonds (distance) C4'-P energy: -48.298
bonds (distance) P-C4' energy: -54.388
flat angles C4'-P-C4' energy: -58.351
flat angles P-C4'-P energy: -40.515
tors. eta vs tors. theta energy: -75.450
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: 3, replica: 3
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -818.945024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.945024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.945024 (E_RNA)
where:
Base-Base interactions energy: -563.170
where: short stacking energy: -246.060
Base-Backbone interact. energy: -2.296
local terms energy: -253.478605
where:
bonds (distance) C4'-P energy: -54.704
bonds (distance) P-C4' energy: -40.011
flat angles C4'-P-C4' energy: -58.947
flat angles P-C4'-P energy: -36.873
tors. eta vs tors. theta energy: -62.944
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: 4, replica: 4
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -845.858970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.858970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.858970 (E_RNA)
where:
Base-Base interactions energy: -592.109
where: short stacking energy: -258.897
Base-Backbone interact. energy: -1.359
local terms energy: -252.391052
where:
bonds (distance) C4'-P energy: -54.414
bonds (distance) P-C4' energy: -45.504
flat angles C4'-P-C4' energy: -56.058
flat angles P-C4'-P energy: -29.001
tors. eta vs tors. theta energy: -67.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -711.611397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.611397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.611397 (E_RNA)
where:
Base-Base interactions energy: -475.529
where: short stacking energy: -219.041
Base-Backbone interact. energy: -1.819
local terms energy: -234.262963
where:
bonds (distance) C4'-P energy: -46.647
bonds (distance) P-C4' energy: -47.894
flat angles C4'-P-C4' energy: -50.771
flat angles P-C4'-P energy: -29.196
tors. eta vs tors. theta energy: -59.755
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: 6
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -680.333957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.333957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.333957 (E_RNA)
where:
Base-Base interactions energy: -457.435
where: short stacking energy: -199.568
Base-Backbone interact. energy: -1.018
local terms energy: -221.881007
where:
bonds (distance) C4'-P energy: -43.320
bonds (distance) P-C4' energy: -47.242
flat angles C4'-P-C4' energy: -52.726
flat angles P-C4'-P energy: -32.860
tors. eta vs tors. theta energy: -45.733
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: 7
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -604.736777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.736777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.736777 (E_RNA)
where:
Base-Base interactions energy: -399.809
where: short stacking energy: -180.459
Base-Backbone interact. energy: -0.447
local terms energy: -204.480898
where:
bonds (distance) C4'-P energy: -46.940
bonds (distance) P-C4' energy: -47.499
flat angles C4'-P-C4' energy: -45.414
flat angles P-C4'-P energy: -26.901
tors. eta vs tors. theta energy: -37.727
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: 8
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -581.651609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.651609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.651609 (E_RNA)
where:
Base-Base interactions energy: -352.357
where: short stacking energy: -161.364
Base-Backbone interact. energy: -0.271
local terms energy: -229.022706
where:
bonds (distance) C4'-P energy: -49.705
bonds (distance) P-C4' energy: -48.333
flat angles C4'-P-C4' energy: -52.981
flat angles P-C4'-P energy: -34.633
tors. eta vs tors. theta energy: -43.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -348.932601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.932601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.932601 (E_RNA)
where:
Base-Base interactions energy: -212.618
where: short stacking energy: -116.965
Base-Backbone interact. energy: -0.962
local terms energy: -135.352774
where:
bonds (distance) C4'-P energy: -38.395
bonds (distance) P-C4' energy: -38.670
flat angles C4'-P-C4' energy: -29.216
flat angles P-C4'-P energy: -21.414
tors. eta vs tors. theta energy: -7.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -219.686377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.686377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.686377 (E_RNA)
where:
Base-Base interactions energy: -70.881
where: short stacking energy: -52.377
Base-Backbone interact. energy: 0.744
local terms energy: -149.549869
where:
bonds (distance) C4'-P energy: -54.691
bonds (distance) P-C4' energy: -45.804
flat angles C4'-P-C4' energy: -37.501
flat angles P-C4'-P energy: -18.430
tors. eta vs tors. theta energy: 6.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -916.575817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.575817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.575817 (E_RNA)
where:
Base-Base interactions energy: -635.274
where: short stacking energy: -269.053
Base-Backbone interact. energy: -1.216
local terms energy: -280.085622
where:
bonds (distance) C4'-P energy: -49.522
bonds (distance) P-C4' energy: -50.055
flat angles C4'-P-C4' energy: -63.562
flat angles P-C4'-P energy: -42.648
tors. eta vs tors. theta energy: -74.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -852.510795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.510795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.510795 (E_RNA)
where:
Base-Base interactions energy: -584.159
where: short stacking energy: -257.193
Base-Backbone interact. energy: 1.705
local terms energy: -270.056487
where:
bonds (distance) C4'-P energy: -46.360
bonds (distance) P-C4' energy: -55.938
flat angles C4'-P-C4' energy: -63.211
flat angles P-C4'-P energy: -33.733
tors. eta vs tors. theta energy: -70.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -864.917085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.917085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.917085 (E_RNA)
where:
Base-Base interactions energy: -582.308
where: short stacking energy: -259.609
Base-Backbone interact. energy: 0.716
local terms energy: -283.325266
where:
bonds (distance) C4'-P energy: -54.874
bonds (distance) P-C4' energy: -48.589
flat angles C4'-P-C4' energy: -59.696
flat angles P-C4'-P energy: -45.574
tors. eta vs tors. theta energy: -74.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -834.958058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.958058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.958058 (E_RNA)
where:
Base-Base interactions energy: -576.150
where: short stacking energy: -238.109
Base-Backbone interact. energy: -1.575
local terms energy: -257.233382
where:
bonds (distance) C4'-P energy: -54.489
bonds (distance) P-C4' energy: -44.595
flat angles C4'-P-C4' energy: -59.885
flat angles P-C4'-P energy: -36.146
tors. eta vs tors. theta energy: -62.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -720.281937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.281937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.281937 (E_RNA)
where:
Base-Base interactions energy: -479.274
where: short stacking energy: -216.225
Base-Backbone interact. energy: -0.617
local terms energy: -240.390482
where:
bonds (distance) C4'-P energy: -43.387
bonds (distance) P-C4' energy: -58.388
flat angles C4'-P-C4' energy: -49.620
flat angles P-C4'-P energy: -28.054
tors. eta vs tors. theta energy: -60.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -713.032065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.032065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.032065 (E_RNA)
where:
Base-Base interactions energy: -491.278
where: short stacking energy: -210.027
Base-Backbone interact. energy: -0.246
local terms energy: -221.508472
where:
bonds (distance) C4'-P energy: -48.064
bonds (distance) P-C4' energy: -44.998
flat angles C4'-P-C4' energy: -51.481
flat angles P-C4'-P energy: -22.382
tors. eta vs tors. theta energy: -54.584
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: 7
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -576.965233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.965233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.965233 (E_RNA)
where:
Base-Base interactions energy: -377.140
where: short stacking energy: -178.173
Base-Backbone interact. energy: -0.605
local terms energy: -199.220124
where:
bonds (distance) C4'-P energy: -44.069
bonds (distance) P-C4' energy: -50.845
flat angles C4'-P-C4' energy: -41.553
flat angles P-C4'-P energy: -32.098
tors. eta vs tors. theta energy: -30.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -596.256122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.256122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.256122 (E_RNA)
where:
Base-Base interactions energy: -394.992
where: short stacking energy: -165.018
Base-Backbone interact. energy: -0.438
local terms energy: -200.825690
where:
bonds (distance) C4'-P energy: -43.584
bonds (distance) P-C4' energy: -46.538
flat angles C4'-P-C4' energy: -35.861
flat angles P-C4'-P energy: -34.762
tors. eta vs tors. theta energy: -40.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -305.330932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.330932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.330932 (E_RNA)
where:
Base-Base interactions energy: -159.671
where: short stacking energy: -91.277
Base-Backbone interact. energy: -0.150
local terms energy: -145.509306
where:
bonds (distance) C4'-P energy: -46.136
bonds (distance) P-C4' energy: -44.681
flat angles C4'-P-C4' energy: -38.218
flat angles P-C4'-P energy: -20.320
tors. eta vs tors. theta energy: 3.846
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: 9
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -246.732692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.732692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.732692 (E_RNA)
where:
Base-Base interactions energy: -79.100
where: short stacking energy: -67.598
Base-Backbone interact. energy: 2.283
local terms energy: -169.915540
where:
bonds (distance) C4'-P energy: -42.348
bonds (distance) P-C4' energy: -53.774
flat angles C4'-P-C4' energy: -47.491
flat angles P-C4'-P energy: -24.405
tors. eta vs tors. theta energy: -1.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -905.152061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.152061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.152061 (E_RNA)
where:
Base-Base interactions energy: -634.769
where: short stacking energy: -261.552
Base-Backbone interact. energy: 2.196
local terms energy: -272.579901
where:
bonds (distance) C4'-P energy: -56.234
bonds (distance) P-C4' energy: -51.120
flat angles C4'-P-C4' energy: -58.462
flat angles P-C4'-P energy: -39.583
tors. eta vs tors. theta energy: -67.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -880.728994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.728994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.728994 (E_RNA)
where:
Base-Base interactions energy: -604.457
where: short stacking energy: -263.981
Base-Backbone interact. energy: -0.494
local terms energy: -275.778686
where:
bonds (distance) C4'-P energy: -53.382
bonds (distance) P-C4' energy: -48.526
flat angles C4'-P-C4' energy: -57.095
flat angles P-C4'-P energy: -37.817
tors. eta vs tors. theta energy: -78.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -866.947900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.947900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.947900 (E_RNA)
where:
Base-Base interactions energy: -603.752
where: short stacking energy: -248.667
Base-Backbone interact. energy: 1.646
local terms energy: -264.841581
where:
bonds (distance) C4'-P energy: -55.246
bonds (distance) P-C4' energy: -52.848
flat angles C4'-P-C4' energy: -53.725
flat angles P-C4'-P energy: -34.740
tors. eta vs tors. theta energy: -68.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -811.216637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.216637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.216637 (E_RNA)
where:
Base-Base interactions energy: -571.338
where: short stacking energy: -243.856
Base-Backbone interact. energy: 0.168
local terms energy: -240.047195
where:
bonds (distance) C4'-P energy: -44.405
bonds (distance) P-C4' energy: -47.149
flat angles C4'-P-C4' energy: -56.949
flat angles P-C4'-P energy: -28.147
tors. eta vs tors. theta energy: -63.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -701.233513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.233513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.233513 (E_RNA)
where:
Base-Base interactions energy: -474.666
where: short stacking energy: -205.346
Base-Backbone interact. energy: -0.098
local terms energy: -226.468810
where:
bonds (distance) C4'-P energy: -52.967
bonds (distance) P-C4' energy: -39.294
flat angles C4'-P-C4' energy: -51.977
flat angles P-C4'-P energy: -31.461
tors. eta vs tors. theta energy: -50.770
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: 182
Temperature: 1.150000
Total energy: -698.844110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.844110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.844110 (E_RNA)
where:
Base-Base interactions energy: -463.531
where: short stacking energy: -201.773
Base-Backbone interact. energy: -1.705
local terms energy: -233.607796
where:
bonds (distance) C4'-P energy: -42.400
bonds (distance) P-C4' energy: -47.048
flat angles C4'-P-C4' energy: -50.779
flat angles P-C4'-P energy: -33.172
tors. eta vs tors. theta energy: -60.207
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: 8
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -612.824608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.824608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.824608 (E_RNA)
where:
Base-Base interactions energy: -392.335
where: short stacking energy: -191.823
Base-Backbone interact. energy: -0.546
local terms energy: -219.943679
where:
bonds (distance) C4'-P energy: -46.052
bonds (distance) P-C4' energy: -45.642
flat angles C4'-P-C4' energy: -47.102
flat angles P-C4'-P energy: -28.340
tors. eta vs tors. theta energy: -52.808
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: 7
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -571.005904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.005904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.005904 (E_RNA)
where:
Base-Base interactions energy: -365.377
where: short stacking energy: -167.177
Base-Backbone interact. energy: -0.107
local terms energy: -205.522058
where:
bonds (distance) C4'-P energy: -46.024
bonds (distance) P-C4' energy: -51.785
flat angles C4'-P-C4' energy: -44.279
flat angles P-C4'-P energy: -32.085
tors. eta vs tors. theta energy: -31.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -293.405911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.405911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.405911 (E_RNA)
where:
Base-Base interactions energy: -130.160
where: short stacking energy: -83.477
Base-Backbone interact. energy: 0.233
local terms energy: -163.479331
where:
bonds (distance) C4'-P energy: -38.292
bonds (distance) P-C4' energy: -48.373
flat angles C4'-P-C4' energy: -39.918
flat angles P-C4'-P energy: -31.505
tors. eta vs tors. theta energy: -5.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -236.589580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.589580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.589580 (E_RNA)
where:
Base-Base interactions energy: -88.968
where: short stacking energy: -60.537
Base-Backbone interact. energy: -0.114
local terms energy: -147.508117
where:
bonds (distance) C4'-P energy: -35.404
bonds (distance) P-C4' energy: -48.988
flat angles C4'-P-C4' energy: -47.051
flat angles P-C4'-P energy: -19.092
tors. eta vs tors. theta energy: 3.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -918.400758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.400758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.400758 (E_RNA)
where:
Base-Base interactions energy: -630.081
where: short stacking energy: -253.067
Base-Backbone interact. energy: -0.589
local terms energy: -287.731437
where:
bonds (distance) C4'-P energy: -53.214
bonds (distance) P-C4' energy: -56.736
flat angles C4'-P-C4' energy: -63.861
flat angles P-C4'-P energy: -43.871
tors. eta vs tors. theta energy: -70.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -872.163164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.163164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.163164 (E_RNA)
where:
Base-Base interactions energy: -600.724
where: short stacking energy: -256.260
Base-Backbone interact. energy: -1.451
local terms energy: -269.988044
where:
bonds (distance) C4'-P energy: -51.770
bonds (distance) P-C4' energy: -44.916
flat angles C4'-P-C4' energy: -62.843
flat angles P-C4'-P energy: -37.344
tors. eta vs tors. theta energy: -73.115
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: 3
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -822.809895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.809895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.809895 (E_RNA)
where:
Base-Base interactions energy: -556.045
where: short stacking energy: -247.000
Base-Backbone interact. energy: -0.821
local terms energy: -265.943707
where:
bonds (distance) C4'-P energy: -48.726
bonds (distance) P-C4' energy: -55.182
flat angles C4'-P-C4' energy: -59.534
flat angles P-C4'-P energy: -35.175
tors. eta vs tors. theta energy: -67.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -802.618327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.618327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.618327 (E_RNA)
where:
Base-Base interactions energy: -557.585
where: short stacking energy: -248.956
Base-Backbone interact. energy: -1.550
local terms energy: -243.482807
where:
bonds (distance) C4'-P energy: -53.643
bonds (distance) P-C4' energy: -35.663
flat angles C4'-P-C4' energy: -56.463
flat angles P-C4'-P energy: -36.552
tors. eta vs tors. theta energy: -61.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -726.844424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.844424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.844424 (E_RNA)
where:
Base-Base interactions energy: -508.674
where: short stacking energy: -204.276
Base-Backbone interact. energy: -0.977
local terms energy: -217.193133
where:
bonds (distance) C4'-P energy: -43.800
bonds (distance) P-C4' energy: -45.250
flat angles C4'-P-C4' energy: -40.462
flat angles P-C4'-P energy: -33.591
tors. eta vs tors. theta energy: -54.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -686.002781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.002781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.002781 (E_RNA)
where:
Base-Base interactions energy: -465.742
where: short stacking energy: -213.084
Base-Backbone interact. energy: -1.628
local terms energy: -218.633083
where:
bonds (distance) C4'-P energy: -41.536
bonds (distance) P-C4' energy: -44.130
flat angles C4'-P-C4' energy: -55.753
flat angles P-C4'-P energy: -22.405
tors. eta vs tors. theta energy: -54.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -570.977018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.977018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.977018 (E_RNA)
where:
Base-Base interactions energy: -349.635
where: short stacking energy: -170.027
Base-Backbone interact. energy: -2.928
local terms energy: -218.414067
where:
bonds (distance) C4'-P energy: -38.435
bonds (distance) P-C4' energy: -54.260
flat angles C4'-P-C4' energy: -48.031
flat angles P-C4'-P energy: -36.117
tors. eta vs tors. theta energy: -41.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -621.154648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.154648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.154648 (E_RNA)
where:
Base-Base interactions energy: -395.275
where: short stacking energy: -166.424
Base-Backbone interact. energy: -2.698
local terms energy: -223.182351
where:
bonds (distance) C4'-P energy: -51.051
bonds (distance) P-C4' energy: -45.625
flat angles C4'-P-C4' energy: -47.775
flat angles P-C4'-P energy: -31.326
tors. eta vs tors. theta energy: -47.405
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: 10
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -301.536103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.536103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.536103 (E_RNA)
where:
Base-Base interactions energy: -150.413
where: short stacking energy: -102.925
Base-Backbone interact. energy: 0.563
local terms energy: -151.685599
where:
bonds (distance) C4'-P energy: -38.893
bonds (distance) P-C4' energy: -47.122
flat angles C4'-P-C4' energy: -42.766
flat angles P-C4'-P energy: -19.891
tors. eta vs tors. theta energy: -3.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -236.024313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.024313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.024313 (E_RNA)
where:
Base-Base interactions energy: -69.771
where: short stacking energy: -65.386
Base-Backbone interact. energy: 0.662
local terms energy: -166.914946
where:
bonds (distance) C4'-P energy: -45.779
bonds (distance) P-C4' energy: -51.167
flat angles C4'-P-C4' energy: -42.714
flat angles P-C4'-P energy: -35.626
tors. eta vs tors. theta energy: 8.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -932.919584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.919584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.919584 (E_RNA)
where:
Base-Base interactions energy: -654.824
where: short stacking energy: -275.883
Base-Backbone interact. energy: -1.531
local terms energy: -276.563924
where:
bonds (distance) C4'-P energy: -48.337
bonds (distance) P-C4' energy: -56.810
flat angles C4'-P-C4' energy: -52.730
flat angles P-C4'-P energy: -46.770
tors. eta vs tors. theta energy: -71.917
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: 2, replica: 5
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -892.040438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.040438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.040438 (E_RNA)
where:
Base-Base interactions energy: -608.942
where: short stacking energy: -271.132
Base-Backbone interact. energy: -1.676
local terms energy: -281.422950
where:
bonds (distance) C4'-P energy: -53.720
bonds (distance) P-C4' energy: -48.582
flat angles C4'-P-C4' energy: -61.727
flat angles P-C4'-P energy: -43.914
tors. eta vs tors. theta energy: -73.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -842.239861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.239861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.239861 (E_RNA)
where:
Base-Base interactions energy: -573.780
where: short stacking energy: -238.023
Base-Backbone interact. energy: 1.494
local terms energy: -269.953678
where:
bonds (distance) C4'-P energy: -53.782
bonds (distance) P-C4' energy: -48.309
flat angles C4'-P-C4' energy: -62.219
flat angles P-C4'-P energy: -41.577
tors. eta vs tors. theta energy: -64.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -817.950684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.950684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.950684 (E_RNA)
where:
Base-Base interactions energy: -558.339
where: short stacking energy: -240.979
Base-Backbone interact. energy: -0.320
local terms energy: -259.291530
where:
bonds (distance) C4'-P energy: -55.180
bonds (distance) P-C4' energy: -56.852
flat angles C4'-P-C4' energy: -52.448
flat angles P-C4'-P energy: -35.616
tors. eta vs tors. theta energy: -59.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -718.347090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.347090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.347090 (E_RNA)
where:
Base-Base interactions energy: -473.669
where: short stacking energy: -199.335
Base-Backbone interact. energy: 1.430
local terms energy: -246.107878
where:
bonds (distance) C4'-P energy: -48.635
bonds (distance) P-C4' energy: -51.354
flat angles C4'-P-C4' energy: -54.138
flat angles P-C4'-P energy: -33.076
tors. eta vs tors. theta energy: -58.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -700.383395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.383395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.383395 (E_RNA)
where:
Base-Base interactions energy: -476.504
where: short stacking energy: -197.000
Base-Backbone interact. energy: -1.570
local terms energy: -222.310033
where:
bonds (distance) C4'-P energy: -49.449
bonds (distance) P-C4' energy: -47.617
flat angles C4'-P-C4' energy: -54.384
flat angles P-C4'-P energy: -27.974
tors. eta vs tors. theta energy: -42.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -649.774199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.774199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.774199 (E_RNA)
where:
Base-Base interactions energy: -427.761
where: short stacking energy: -184.747
Base-Backbone interact. energy: 0.947
local terms energy: -222.959460
where:
bonds (distance) C4'-P energy: -40.674
bonds (distance) P-C4' energy: -46.096
flat angles C4'-P-C4' energy: -50.250
flat angles P-C4'-P energy: -39.759
tors. eta vs tors. theta energy: -46.182
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: 8
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -560.640766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.640766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.640766 (E_RNA)
where:
Base-Base interactions energy: -363.776
where: short stacking energy: -158.109
Base-Backbone interact. energy: 0.304
local terms energy: -197.169440
where:
bonds (distance) C4'-P energy: -47.390
bonds (distance) P-C4' energy: -47.597
flat angles C4'-P-C4' energy: -39.753
flat angles P-C4'-P energy: -32.328
tors. eta vs tors. theta energy: -30.101
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: 10
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -329.818352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.818352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.818352 (E_RNA)
where:
Base-Base interactions energy: -152.178
where: short stacking energy: -89.355
Base-Backbone interact. energy: -0.419
local terms energy: -177.221820
where:
bonds (distance) C4'-P energy: -47.160
bonds (distance) P-C4' energy: -45.351
flat angles C4'-P-C4' energy: -43.164
flat angles P-C4'-P energy: -32.962
tors. eta vs tors. theta energy: -8.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -244.559604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.559604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.559604 (E_RNA)
where:
Base-Base interactions energy: -97.704
where: short stacking energy: -67.467
Base-Backbone interact. energy: 0.844
local terms energy: -147.699892
where:
bonds (distance) C4'-P energy: -34.850
bonds (distance) P-C4' energy: -53.920
flat angles C4'-P-C4' energy: -34.585
flat angles P-C4'-P energy: -21.407
tors. eta vs tors. theta energy: -2.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -932.275277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.275277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.275277 (E_RNA)
where:
Base-Base interactions energy: -647.084
where: short stacking energy: -269.652
Base-Backbone interact. energy: -1.225
local terms energy: -283.966630
where:
bonds (distance) C4'-P energy: -50.747
bonds (distance) P-C4' energy: -56.231
flat angles C4'-P-C4' energy: -56.244
flat angles P-C4'-P energy: -47.774
tors. eta vs tors. theta energy: -72.970
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: 5
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -856.420996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.420996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.420996 (E_RNA)
where:
Base-Base interactions energy: -600.097
where: short stacking energy: -248.456
Base-Backbone interact. energy: -1.687
local terms energy: -254.637071
where:
bonds (distance) C4'-P energy: -38.372
bonds (distance) P-C4' energy: -47.825
flat angles C4'-P-C4' energy: -56.225
flat angles P-C4'-P energy: -43.958
tors. eta vs tors. theta energy: -68.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -809.640260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.640260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.640260 (E_RNA)
where:
Base-Base interactions energy: -535.926
where: short stacking energy: -242.328
Base-Backbone interact. energy: -1.679
local terms energy: -272.034868
where:
bonds (distance) C4'-P energy: -49.424
bonds (distance) P-C4' energy: -53.775
flat angles C4'-P-C4' energy: -62.842
flat angles P-C4'-P energy: -38.860
tors. eta vs tors. theta energy: -67.134
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: 4, replica: 3
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -833.766997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.766997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.766997 (E_RNA)
where:
Base-Base interactions energy: -560.831
where: short stacking energy: -245.179
Base-Backbone interact. energy: -1.719
local terms energy: -271.216643
where:
bonds (distance) C4'-P energy: -46.105
bonds (distance) P-C4' energy: -50.721
flat angles C4'-P-C4' energy: -58.570
flat angles P-C4'-P energy: -43.752
tors. eta vs tors. theta energy: -72.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -695.450238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.450238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.450238 (E_RNA)
where:
Base-Base interactions energy: -472.500
where: short stacking energy: -184.340
Base-Backbone interact. energy: -0.991
local terms energy: -221.958688
where:
bonds (distance) C4'-P energy: -55.542
bonds (distance) P-C4' energy: -39.469
flat angles C4'-P-C4' energy: -40.637
flat angles P-C4'-P energy: -38.743
tors. eta vs tors. theta energy: -47.568
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: 6
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -696.734655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.734655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.734655 (E_RNA)
where:
Base-Base interactions energy: -459.297
where: short stacking energy: -209.218
Base-Backbone interact. energy: -1.190
local terms energy: -236.247573
where:
bonds (distance) C4'-P energy: -50.801
bonds (distance) P-C4' energy: -41.864
flat angles C4'-P-C4' energy: -59.574
flat angles P-C4'-P energy: -33.945
tors. eta vs tors. theta energy: -50.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -613.010054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.010054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.010054 (E_RNA)
where:
Base-Base interactions energy: -406.747
where: short stacking energy: -177.962
Base-Backbone interact. energy: -0.864
local terms energy: -205.398373
where:
bonds (distance) C4'-P energy: -42.915
bonds (distance) P-C4' energy: -47.591
flat angles C4'-P-C4' energy: -45.778
flat angles P-C4'-P energy: -34.810
tors. eta vs tors. theta energy: -34.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -573.246667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.246667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.246667 (E_RNA)
where:
Base-Base interactions energy: -376.680
where: short stacking energy: -175.132
Base-Backbone interact. energy: 1.016
local terms energy: -197.583115
where:
bonds (distance) C4'-P energy: -32.063
bonds (distance) P-C4' energy: -51.044
flat angles C4'-P-C4' energy: -50.600
flat angles P-C4'-P energy: -31.835
tors. eta vs tors. theta energy: -32.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -282.311797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.311797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.311797 (E_RNA)
where:
Base-Base interactions energy: -138.949
where: short stacking energy: -94.265
Base-Backbone interact. energy: 2.241
local terms energy: -145.603964
where:
bonds (distance) C4'-P energy: -26.628
bonds (distance) P-C4' energy: -42.589
flat angles C4'-P-C4' energy: -42.569
flat angles P-C4'-P energy: -33.190
tors. eta vs tors. theta energy: -0.628
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: 10, replica: 9
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -237.791488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.791488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.791488 (E_RNA)
where:
Base-Base interactions energy: -86.789
where: short stacking energy: -61.143
Base-Backbone interact. energy: -1.954
local terms energy: -149.048578
where:
bonds (distance) C4'-P energy: -49.280
bonds (distance) P-C4' energy: -45.750
flat angles C4'-P-C4' energy: -41.722
flat angles P-C4'-P energy: -21.945
tors. eta vs tors. theta energy: 9.649
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: 1, replica: 1
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -926.351712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.351712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.351712 (E_RNA)
where:
Base-Base interactions energy: -651.204
where: short stacking energy: -265.578
Base-Backbone interact. energy: -3.176
local terms energy: -271.971181
where:
bonds (distance) C4'-P energy: -48.324
bonds (distance) P-C4' energy: -54.092
flat angles C4'-P-C4' energy: -65.003
flat angles P-C4'-P energy: -33.185
tors. eta vs tors. theta energy: -71.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -886.244515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.244515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.244515 (E_RNA)
where:
Base-Base interactions energy: -612.568
where: short stacking energy: -273.395
Base-Backbone interact. energy: -0.317
local terms energy: -273.359389
where:
bonds (distance) C4'-P energy: -52.025
bonds (distance) P-C4' energy: -51.637
flat angles C4'-P-C4' energy: -54.109
flat angles P-C4'-P energy: -40.957
tors. eta vs tors. theta energy: -74.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -834.341335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.341335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.341335 (E_RNA)
where:
Base-Base interactions energy: -572.666
where: short stacking energy: -267.914
Base-Backbone interact. energy: -1.177
local terms energy: -260.498270
where:
bonds (distance) C4'-P energy: -47.148
bonds (distance) P-C4' energy: -54.989
flat angles C4'-P-C4' energy: -49.690
flat angles P-C4'-P energy: -33.742
tors. eta vs tors. theta energy: -74.929
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: 4
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -785.984341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.984341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.984341 (E_RNA)
where:
Base-Base interactions energy: -545.156
where: short stacking energy: -232.419
Base-Backbone interact. energy: 0.084
local terms energy: -240.912538
where:
bonds (distance) C4'-P energy: -53.416
bonds (distance) P-C4' energy: -39.972
flat angles C4'-P-C4' energy: -52.793
flat angles P-C4'-P energy: -39.122
tors. eta vs tors. theta energy: -55.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -723.897005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.897005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.897005 (E_RNA)
where:
Base-Base interactions energy: -500.023
where: short stacking energy: -217.878
Base-Backbone interact. energy: 2.408
local terms energy: -226.282479
where:
bonds (distance) C4'-P energy: -33.910
bonds (distance) P-C4' energy: -54.407
flat angles C4'-P-C4' energy: -48.376
flat angles P-C4'-P energy: -30.052
tors. eta vs tors. theta energy: -59.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -668.054094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.054094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.054094 (E_RNA)
where:
Base-Base interactions energy: -435.167
where: short stacking energy: -190.814
Base-Backbone interact. energy: 0.114
local terms energy: -233.000958
where:
bonds (distance) C4'-P energy: -47.564
bonds (distance) P-C4' energy: -56.551
flat angles C4'-P-C4' energy: -48.767
flat angles P-C4'-P energy: -38.179
tors. eta vs tors. theta energy: -41.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -607.946116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.946116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.946116 (E_RNA)
where:
Base-Base interactions energy: -384.378
where: short stacking energy: -183.556
Base-Backbone interact. energy: -0.852
local terms energy: -222.715927
where:
bonds (distance) C4'-P energy: -42.197
bonds (distance) P-C4' energy: -50.633
flat angles C4'-P-C4' energy: -52.286
flat angles P-C4'-P energy: -38.987
tors. eta vs tors. theta energy: -38.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -579.884422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.884422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.884422 (E_RNA)
where:
Base-Base interactions energy: -370.705
where: short stacking energy: -153.324
Base-Backbone interact. energy: -1.355
local terms energy: -207.825279
where:
bonds (distance) C4'-P energy: -47.327
bonds (distance) P-C4' energy: -54.663
flat angles C4'-P-C4' energy: -38.810
flat angles P-C4'-P energy: -37.530
tors. eta vs tors. theta energy: -29.495
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: 10
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -270.371878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.371878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.371878 (E_RNA)
where:
Base-Base interactions energy: -120.184
where: short stacking energy: -73.949
Base-Backbone interact. energy: 3.030
local terms energy: -153.217358
where:
bonds (distance) C4'-P energy: -46.404
bonds (distance) P-C4' energy: -35.348
flat angles C4'-P-C4' energy: -40.865
flat angles P-C4'-P energy: -20.969
tors. eta vs tors. theta energy: -9.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -216.747746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.747746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.747746 (E_RNA)
where:
Base-Base interactions energy: -77.501
where: short stacking energy: -69.273
Base-Backbone interact. energy: 2.541
local terms energy: -141.787648
where:
bonds (distance) C4'-P energy: -33.392
bonds (distance) P-C4' energy: -50.533
flat angles C4'-P-C4' energy: -44.554
flat angles P-C4'-P energy: -21.585
tors. eta vs tors. theta energy: 8.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -915.592244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.592244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.592244 (E_RNA)
where:
Base-Base interactions energy: -648.635
where: short stacking energy: -279.087
Base-Backbone interact. energy: -0.841
local terms energy: -266.116172
where:
bonds (distance) C4'-P energy: -51.139
bonds (distance) P-C4' energy: -48.602
flat angles C4'-P-C4' energy: -53.815
flat angles P-C4'-P energy: -39.739
tors. eta vs tors. theta energy: -72.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -896.969788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.969788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.969788 (E_RNA)
where:
Base-Base interactions energy: -617.209
where: short stacking energy: -268.921
Base-Backbone interact. energy: -0.849
local terms energy: -278.912448
where:
bonds (distance) C4'-P energy: -48.444
bonds (distance) P-C4' energy: -49.387
flat angles C4'-P-C4' energy: -58.898
flat angles P-C4'-P energy: -47.508
tors. eta vs tors. theta energy: -74.676
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: 3
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -823.679283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.679283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.679283 (E_RNA)
where:
Base-Base interactions energy: -554.874
where: short stacking energy: -227.653
Base-Backbone interact. energy: -1.449
local terms energy: -267.356781
where:
bonds (distance) C4'-P energy: -52.434
bonds (distance) P-C4' energy: -61.576
flat angles C4'-P-C4' energy: -56.675
flat angles P-C4'-P energy: -35.086
tors. eta vs tors. theta energy: -61.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -798.460569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.460569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.460569 (E_RNA)
where:
Base-Base interactions energy: -548.460
where: short stacking energy: -229.874
Base-Backbone interact. energy: -1.737
local terms energy: -248.263474
where:
bonds (distance) C4'-P energy: -45.396
bonds (distance) P-C4' energy: -45.762
flat angles C4'-P-C4' energy: -55.824
flat angles P-C4'-P energy: -35.852
tors. eta vs tors. theta energy: -65.430
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: 187
Temperature: 1.100000
Total energy: -693.526472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.526472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.526472 (E_RNA)
where:
Base-Base interactions energy: -480.495
where: short stacking energy: -212.122
Base-Backbone interact. energy: 1.005
local terms energy: -214.036208
where:
bonds (distance) C4'-P energy: -48.814
bonds (distance) P-C4' energy: -51.339
flat angles C4'-P-C4' energy: -40.812
flat angles P-C4'-P energy: -26.976
tors. eta vs tors. theta energy: -46.095
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: 2
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -685.765292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.765292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.765292 (E_RNA)
where:
Base-Base interactions energy: -465.837
where: short stacking energy: -198.070
Base-Backbone interact. energy: -0.709
local terms energy: -219.219248
where:
bonds (distance) C4'-P energy: -46.670
bonds (distance) P-C4' energy: -50.930
flat angles C4'-P-C4' energy: -44.715
flat angles P-C4'-P energy: -36.815
tors. eta vs tors. theta energy: -40.089
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: 7, replica: 8
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -589.312111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.312111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.312111 (E_RNA)
where:
Base-Base interactions energy: -380.883
where: short stacking energy: -174.765
Base-Backbone interact. energy: 2.375
local terms energy: -210.804609
where:
bonds (distance) C4'-P energy: -41.910
bonds (distance) P-C4' energy: -49.949
flat angles C4'-P-C4' energy: -49.359
flat angles P-C4'-P energy: -36.087
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: 8, replica: 7
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -557.325820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.325820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.325820 (E_RNA)
where:
Base-Base interactions energy: -354.863
where: short stacking energy: -153.278
Base-Backbone interact. energy: -0.272
local terms energy: -202.191457
where:
bonds (distance) C4'-P energy: -36.574
bonds (distance) P-C4' energy: -41.543
flat angles C4'-P-C4' energy: -52.711
flat angles P-C4'-P energy: -31.457
tors. eta vs tors. theta energy: -39.908
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: 9, replica: 10
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -264.498221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.498221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.498221 (E_RNA)
where:
Base-Base interactions energy: -128.251
where: short stacking energy: -79.972
Base-Backbone interact. energy: 0.266
local terms energy: -136.513161
where:
bonds (distance) C4'-P energy: -32.197
bonds (distance) P-C4' energy: -40.904
flat angles C4'-P-C4' energy: -39.606
flat angles P-C4'-P energy: -21.952
tors. eta vs tors. theta energy: -1.855
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: 9
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -218.093573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.093573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.093573 (E_RNA)
where:
Base-Base interactions energy: -87.355
where: short stacking energy: -68.737
Base-Backbone interact. energy: -0.416
local terms energy: -130.323156
where:
bonds (distance) C4'-P energy: -42.548
bonds (distance) P-C4' energy: -44.432
flat angles C4'-P-C4' energy: -30.607
flat angles P-C4'-P energy: -21.518
tors. eta vs tors. theta energy: 8.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -927.106428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.106428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.106428 (E_RNA)
where:
Base-Base interactions energy: -642.739
where: short stacking energy: -270.011
Base-Backbone interact. energy: -3.028
local terms energy: -281.338880
where:
bonds (distance) C4'-P energy: -57.713
bonds (distance) P-C4' energy: -49.717
flat angles C4'-P-C4' energy: -59.456
flat angles P-C4'-P energy: -38.970
tors. eta vs tors. theta energy: -75.483
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: 2, replica: 5
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -873.211888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.211888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.211888 (E_RNA)
where:
Base-Base interactions energy: -598.380
where: short stacking energy: -247.675
Base-Backbone interact. energy: -0.214
local terms energy: -274.617698
where:
bonds (distance) C4'-P energy: -50.675
bonds (distance) P-C4' energy: -52.944
flat angles C4'-P-C4' energy: -58.471
flat angles P-C4'-P energy: -41.284
tors. eta vs tors. theta energy: -71.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -858.079396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.079396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.079396 (E_RNA)
where:
Base-Base interactions energy: -591.210
where: short stacking energy: -250.393
Base-Backbone interact. energy: -1.679
local terms energy: -265.189983
where:
bonds (distance) C4'-P energy: -46.600
bonds (distance) P-C4' energy: -58.644
flat angles C4'-P-C4' energy: -61.742
flat angles P-C4'-P energy: -35.478
tors. eta vs tors. theta energy: -62.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -794.014824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.014824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.014824 (E_RNA)
where:
Base-Base interactions energy: -541.002
where: short stacking energy: -243.563
Base-Backbone interact. energy: -0.159
local terms energy: -252.853591
where:
bonds (distance) C4'-P energy: -47.887
bonds (distance) P-C4' energy: -49.989
flat angles C4'-P-C4' energy: -54.722
flat angles P-C4'-P energy: -34.706
tors. eta vs tors. theta energy: -65.550
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: 2
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -677.143718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.143718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.143718 (E_RNA)
where:
Base-Base interactions energy: -461.122
where: short stacking energy: -203.000
Base-Backbone interact. energy: 1.240
local terms energy: -217.261199
where:
bonds (distance) C4'-P energy: -42.594
bonds (distance) P-C4' energy: -50.112
flat angles C4'-P-C4' energy: -46.144
flat angles P-C4'-P energy: -31.950
tors. eta vs tors. theta energy: -46.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -661.934236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.934236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.934236 (E_RNA)
where:
Base-Base interactions energy: -452.540
where: short stacking energy: -210.771
Base-Backbone interact. energy: 4.881
local terms energy: -214.274937
where:
bonds (distance) C4'-P energy: -40.851
bonds (distance) P-C4' energy: -42.781
flat angles C4'-P-C4' energy: -50.213
flat angles P-C4'-P energy: -28.312
tors. eta vs tors. theta energy: -52.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -604.955903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.955903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.955903 (E_RNA)
where:
Base-Base interactions energy: -372.393
where: short stacking energy: -176.337
Base-Backbone interact. energy: -0.576
local terms energy: -231.986945
where:
bonds (distance) C4'-P energy: -49.599
bonds (distance) P-C4' energy: -56.976
flat angles C4'-P-C4' energy: -51.887
flat angles P-C4'-P energy: -33.692
tors. eta vs tors. theta energy: -39.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -553.934912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.934912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.934912 (E_RNA)
where:
Base-Base interactions energy: -365.158
where: short stacking energy: -160.606
Base-Backbone interact. energy: -0.482
local terms energy: -188.294606
where:
bonds (distance) C4'-P energy: -45.299
bonds (distance) P-C4' energy: -49.999
flat angles C4'-P-C4' energy: -48.219
flat angles P-C4'-P energy: -20.627
tors. eta vs tors. theta energy: -24.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -223.936563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.936563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.936563 (E_RNA)
where:
Base-Base interactions energy: -84.430
where: short stacking energy: -65.827
Base-Backbone interact. energy: 1.367
local terms energy: -140.873938
where:
bonds (distance) C4'-P energy: -44.375
bonds (distance) P-C4' energy: -53.184
flat angles C4'-P-C4' energy: -27.678
flat angles P-C4'-P energy: -16.061
tors. eta vs tors. theta energy: 0.423
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: 10
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -227.377405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.377405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.377405 (E_RNA)
where:
Base-Base interactions energy: -91.176
where: short stacking energy: -56.906
Base-Backbone interact. energy: 2.857
local terms energy: -139.059311
where:
bonds (distance) C4'-P energy: -46.084
bonds (distance) P-C4' energy: -46.325
flat angles C4'-P-C4' energy: -47.184
flat angles P-C4'-P energy: -7.954
tors. eta vs tors. theta energy: 8.488
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: 1, replica: 1
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -928.776740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.776740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.776740 (E_RNA)
where:
Base-Base interactions energy: -648.792
where: short stacking energy: -272.716
Base-Backbone interact. energy: -0.000
local terms energy: -279.984573
where:
bonds (distance) C4'-P energy: -52.672
bonds (distance) P-C4' energy: -52.300
flat angles C4'-P-C4' energy: -63.901
flat angles P-C4'-P energy: -35.617
tors. eta vs tors. theta energy: -75.495
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: 3
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -873.824981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.824981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.824981 (E_RNA)
where:
Base-Base interactions energy: -594.527
where: short stacking energy: -239.119
Base-Backbone interact. energy: -1.436
local terms energy: -277.861719
where:
bonds (distance) C4'-P energy: -50.004
bonds (distance) P-C4' energy: -51.532
flat angles C4'-P-C4' energy: -67.097
flat angles P-C4'-P energy: -43.828
tors. eta vs tors. theta energy: -65.401
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: 3, replica: 5
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -835.828442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.828442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.828442 (E_RNA)
where:
Base-Base interactions energy: -575.822
where: short stacking energy: -233.428
Base-Backbone interact. energy: -0.851
local terms energy: -259.155472
where:
bonds (distance) C4'-P energy: -51.650
bonds (distance) P-C4' energy: -50.527
flat angles C4'-P-C4' energy: -55.749
flat angles P-C4'-P energy: -46.133
tors. eta vs tors. theta energy: -55.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -779.487777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.487777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.487777 (E_RNA)
where:
Base-Base interactions energy: -525.810
where: short stacking energy: -226.208
Base-Backbone interact. energy: -2.200
local terms energy: -251.477550
where:
bonds (distance) C4'-P energy: -53.772
bonds (distance) P-C4' energy: -56.660
flat angles C4'-P-C4' energy: -51.003
flat angles P-C4'-P energy: -29.387
tors. eta vs tors. theta energy: -60.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -696.188846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.188846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.188846 (E_RNA)
where:
Base-Base interactions energy: -471.970
where: short stacking energy: -220.334
Base-Backbone interact. energy: -0.990
local terms energy: -223.229257
where:
bonds (distance) C4'-P energy: -45.934
bonds (distance) P-C4' energy: -48.130
flat angles C4'-P-C4' energy: -45.810
flat angles P-C4'-P energy: -31.817
tors. eta vs tors. theta energy: -51.538
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: 189
Temperature: 1.150000
Total energy: -669.985868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.985868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.985868 (E_RNA)
where:
Base-Base interactions energy: -456.106
where: short stacking energy: -204.707
Base-Backbone interact. energy: -1.273
local terms energy: -212.607163
where:
bonds (distance) C4'-P energy: -50.589
bonds (distance) P-C4' energy: -33.393
flat angles C4'-P-C4' energy: -44.896
flat angles P-C4'-P energy: -29.059
tors. eta vs tors. theta energy: -54.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -590.340297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.340297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.340297 (E_RNA)
where:
Base-Base interactions energy: -384.748
where: short stacking energy: -165.888
Base-Backbone interact. energy: -0.764
local terms energy: -204.828690
where:
bonds (distance) C4'-P energy: -34.918
bonds (distance) P-C4' energy: -53.691
flat angles C4'-P-C4' energy: -51.343
flat angles P-C4'-P energy: -30.083
tors. eta vs tors. theta energy: -34.794
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: 8, replica: 7
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -560.141105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.141105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.141105 (E_RNA)
where:
Base-Base interactions energy: -359.493
where: short stacking energy: -160.460
Base-Backbone interact. energy: -1.169
local terms energy: -199.479191
where:
bonds (distance) C4'-P energy: -35.879
bonds (distance) P-C4' energy: -45.604
flat angles C4'-P-C4' energy: -49.758
flat angles P-C4'-P energy: -32.175
tors. eta vs tors. theta energy: -36.063
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: 9, replica: 9
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -252.331916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.331916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.331916 (E_RNA)
where:
Base-Base interactions energy: -101.447
where: short stacking energy: -68.468
Base-Backbone interact. energy: 0.246
local terms energy: -151.131513
where:
bonds (distance) C4'-P energy: -46.423
bonds (distance) P-C4' energy: -50.684
flat angles C4'-P-C4' energy: -34.448
flat angles P-C4'-P energy: -25.328
tors. eta vs tors. theta energy: 5.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -239.422207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.422207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.422207 (E_RNA)
where:
Base-Base interactions energy: -98.173
where: short stacking energy: -68.575
Base-Backbone interact. energy: 0.424
local terms energy: -141.672933
where:
bonds (distance) C4'-P energy: -42.187
bonds (distance) P-C4' energy: -54.709
flat angles C4'-P-C4' energy: -37.676
flat angles P-C4'-P energy: -11.802
tors. eta vs tors. theta energy: 4.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -926.674490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.674490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.674490 (E_RNA)
where:
Base-Base interactions energy: -641.168
where: short stacking energy: -268.791
Base-Backbone interact. energy: -1.890
local terms energy: -283.615718
where:
bonds (distance) C4'-P energy: -55.363
bonds (distance) P-C4' energy: -60.592
flat angles C4'-P-C4' energy: -62.052
flat angles P-C4'-P energy: -34.655
tors. eta vs tors. theta energy: -70.954
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: 3
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -862.160874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.160874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.160874 (E_RNA)
where:
Base-Base interactions energy: -599.454
where: short stacking energy: -243.866
Base-Backbone interact. energy: -0.596
local terms energy: -262.110114
where:
bonds (distance) C4'-P energy: -53.926
bonds (distance) P-C4' energy: -49.069
flat angles C4'-P-C4' energy: -53.953
flat angles P-C4'-P energy: -38.866
tors. eta vs tors. theta energy: -66.295
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: 5
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -817.574327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.574327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.574327 (E_RNA)
where:
Base-Base interactions energy: -559.305
where: short stacking energy: -244.932
Base-Backbone interact. energy: 1.216
local terms energy: -259.486184
where:
bonds (distance) C4'-P energy: -50.657
bonds (distance) P-C4' energy: -50.410
flat angles C4'-P-C4' energy: -55.295
flat angles P-C4'-P energy: -38.019
tors. eta vs tors. theta energy: -65.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -821.139749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.139749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.139749 (E_RNA)
where:
Base-Base interactions energy: -564.327
where: short stacking energy: -243.112
Base-Backbone interact. energy: -0.506
local terms energy: -256.306705
where:
bonds (distance) C4'-P energy: -42.946
bonds (distance) P-C4' energy: -52.646
flat angles C4'-P-C4' energy: -51.609
flat angles P-C4'-P energy: -39.278
tors. eta vs tors. theta energy: -69.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -662.529449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.529449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.529449 (E_RNA)
where:
Base-Base interactions energy: -450.256
where: short stacking energy: -197.631
Base-Backbone interact. energy: 3.211
local terms energy: -215.483969
where:
bonds (distance) C4'-P energy: -45.535
bonds (distance) P-C4' energy: -44.426
flat angles C4'-P-C4' energy: -42.841
flat angles P-C4'-P energy: -36.492
tors. eta vs tors. theta energy: -46.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -655.570262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.570262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.570262 (E_RNA)
where:
Base-Base interactions energy: -437.676
where: short stacking energy: -185.034
Base-Backbone interact. energy: -2.117
local terms energy: -215.777740
where:
bonds (distance) C4'-P energy: -48.961
bonds (distance) P-C4' energy: -42.238
flat angles C4'-P-C4' energy: -54.492
flat angles P-C4'-P energy: -27.234
tors. eta vs tors. theta energy: -42.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -582.712622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.712622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.712622 (E_RNA)
where:
Base-Base interactions energy: -372.104
where: short stacking energy: -161.917
Base-Backbone interact. energy: 2.390
local terms energy: -212.998469
where:
bonds (distance) C4'-P energy: -39.559
bonds (distance) P-C4' energy: -49.718
flat angles C4'-P-C4' energy: -51.432
flat angles P-C4'-P energy: -29.789
tors. eta vs tors. theta energy: -42.500
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: 8, replica: 7
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -561.941032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.941032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.941032 (E_RNA)
where:
Base-Base interactions energy: -367.161
where: short stacking energy: -157.812
Base-Backbone interact. energy: -2.739
local terms energy: -192.041021
where:
bonds (distance) C4'-P energy: -48.387
bonds (distance) P-C4' energy: -54.601
flat angles C4'-P-C4' energy: -36.943
flat angles P-C4'-P energy: -26.868
tors. eta vs tors. theta energy: -25.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -242.168122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.168122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.168122 (E_RNA)
where:
Base-Base interactions energy: -85.652
where: short stacking energy: -57.446
Base-Backbone interact. energy: -0.419
local terms energy: -156.097666
where:
bonds (distance) C4'-P energy: -51.673
bonds (distance) P-C4' energy: -47.454
flat angles C4'-P-C4' energy: -35.156
flat angles P-C4'-P energy: -24.745
tors. eta vs tors. theta energy: 2.931
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: 9
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -227.058905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.058905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.058905 (E_RNA)
where:
Base-Base interactions energy: -78.650
where: short stacking energy: -69.851
Base-Backbone interact. energy: -0.828
local terms energy: -147.581143
where:
bonds (distance) C4'-P energy: -45.830
bonds (distance) P-C4' energy: -49.649
flat angles C4'-P-C4' energy: -29.362
flat angles P-C4'-P energy: -20.068
tors. eta vs tors. theta energy: -2.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -925.296498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.296498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.296498 (E_RNA)
where:
Base-Base interactions energy: -639.679
where: short stacking energy: -262.214
Base-Backbone interact. energy: -2.941
local terms energy: -282.677200
where:
bonds (distance) C4'-P energy: -50.499
bonds (distance) P-C4' energy: -53.633
flat angles C4'-P-C4' energy: -62.626
flat angles P-C4'-P energy: -40.376
tors. eta vs tors. theta energy: -75.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -845.572760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.572760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.572760 (E_RNA)
where:
Base-Base interactions energy: -584.006
where: short stacking energy: -239.804
Base-Backbone interact. energy: 0.062
local terms energy: -261.629615
where:
bonds (distance) C4'-P energy: -56.602
bonds (distance) P-C4' energy: -53.779
flat angles C4'-P-C4' energy: -53.754
flat angles P-C4'-P energy: -40.450
tors. eta vs tors. theta energy: -57.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -841.760411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.760411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.760411 (E_RNA)
where:
Base-Base interactions energy: -573.843
where: short stacking energy: -251.372
Base-Backbone interact. energy: 0.384
local terms energy: -268.301230
where:
bonds (distance) C4'-P energy: -49.843
bonds (distance) P-C4' energy: -56.041
flat angles C4'-P-C4' energy: -56.839
flat angles P-C4'-P energy: -38.863
tors. eta vs tors. theta energy: -66.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -823.299984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.299984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.299984 (E_RNA)
where:
Base-Base interactions energy: -569.572
where: short stacking energy: -242.666
Base-Backbone interact. energy: -0.726
local terms energy: -253.001981
where:
bonds (distance) C4'-P energy: -51.294
bonds (distance) P-C4' energy: -54.468
flat angles C4'-P-C4' energy: -50.674
flat angles P-C4'-P energy: -37.080
tors. eta vs tors. theta energy: -59.486
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: 2
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -684.631732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.631732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.631732 (E_RNA)
where:
Base-Base interactions energy: -465.654
where: short stacking energy: -202.101
Base-Backbone interact. energy: 2.652
local terms energy: -221.630333
where:
bonds (distance) C4'-P energy: -40.229
bonds (distance) P-C4' energy: -46.000
flat angles C4'-P-C4' energy: -48.867
flat angles P-C4'-P energy: -41.148
tors. eta vs tors. theta energy: -45.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -683.601388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.601388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.601388 (E_RNA)
where:
Base-Base interactions energy: -445.207
where: short stacking energy: -195.040
Base-Backbone interact. energy: -0.975
local terms energy: -237.419608
where:
bonds (distance) C4'-P energy: -47.591
bonds (distance) P-C4' energy: -47.240
flat angles C4'-P-C4' energy: -58.852
flat angles P-C4'-P energy: -37.033
tors. eta vs tors. theta energy: -46.705
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: 8
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -590.368624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.368624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.368624 (E_RNA)
where:
Base-Base interactions energy: -368.052
where: short stacking energy: -157.573
Base-Backbone interact. energy: -0.340
local terms energy: -221.977448
where:
bonds (distance) C4'-P energy: -34.596
bonds (distance) P-C4' energy: -55.893
flat angles C4'-P-C4' energy: -56.248
flat angles P-C4'-P energy: -29.383
tors. eta vs tors. theta energy: -45.859
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: 7
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -588.866780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.866780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.866780 (E_RNA)
where:
Base-Base interactions energy: -368.653
where: short stacking energy: -174.763
Base-Backbone interact. energy: 0.474
local terms energy: -220.687672
where:
bonds (distance) C4'-P energy: -33.971
bonds (distance) P-C4' energy: -44.811
flat angles C4'-P-C4' energy: -54.367
flat angles P-C4'-P energy: -40.095
tors. eta vs tors. theta energy: -47.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -248.691842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.691842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.691842 (E_RNA)
where:
Base-Base interactions energy: -108.008
where: short stacking energy: -77.072
Base-Backbone interact. energy: -1.532
local terms energy: -139.152453
where:
bonds (distance) C4'-P energy: -34.077
bonds (distance) P-C4' energy: -48.237
flat angles C4'-P-C4' energy: -34.684
flat angles P-C4'-P energy: -22.521
tors. eta vs tors. theta energy: 0.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -236.129092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.129092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.129092 (E_RNA)
where:
Base-Base interactions energy: -92.287
where: short stacking energy: -77.448
Base-Backbone interact. energy: -1.436
local terms energy: -142.405259
where:
bonds (distance) C4'-P energy: -36.599
bonds (distance) P-C4' energy: -46.050
flat angles C4'-P-C4' energy: -39.638
flat angles P-C4'-P energy: -24.168
tors. eta vs tors. theta energy: 4.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -926.492457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.492457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.492457 (E_RNA)
where:
Base-Base interactions energy: -654.618
where: short stacking energy: -264.770
Base-Backbone interact. energy: 0.140
local terms energy: -272.014383
where:
bonds (distance) C4'-P energy: -55.038
bonds (distance) P-C4' energy: -51.189
flat angles C4'-P-C4' energy: -54.113
flat angles P-C4'-P energy: -44.137
tors. eta vs tors. theta energy: -67.538
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: 2, replica: 3
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -857.449566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.449566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.449566 (E_RNA)
where:
Base-Base interactions energy: -593.234
where: short stacking energy: -265.844
Base-Backbone interact. energy: -2.331
local terms energy: -261.884503
where:
bonds (distance) C4'-P energy: -45.277
bonds (distance) P-C4' energy: -53.763
flat angles C4'-P-C4' energy: -60.954
flat angles P-C4'-P energy: -30.885
tors. eta vs tors. theta energy: -71.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -868.094883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.094883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.094883 (E_RNA)
where:
Base-Base interactions energy: -611.964
where: short stacking energy: -254.700
Base-Backbone interact. energy: -1.372
local terms energy: -254.758874
where:
bonds (distance) C4'-P energy: -38.878
bonds (distance) P-C4' energy: -58.537
flat angles C4'-P-C4' energy: -59.739
flat angles P-C4'-P energy: -33.333
tors. eta vs tors. theta energy: -64.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -817.306753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.306753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.306753 (E_RNA)
where:
Base-Base interactions energy: -543.826
where: short stacking energy: -230.844
Base-Backbone interact. energy: -1.042
local terms energy: -272.438224
where:
bonds (distance) C4'-P energy: -57.019
bonds (distance) P-C4' energy: -52.933
flat angles C4'-P-C4' energy: -59.796
flat angles P-C4'-P energy: -33.646
tors. eta vs tors. theta energy: -69.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -717.176333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.176333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.176333 (E_RNA)
where:
Base-Base interactions energy: -479.351
where: short stacking energy: -213.692
Base-Backbone interact. energy: -1.015
local terms energy: -236.810290
where:
bonds (distance) C4'-P energy: -43.340
bonds (distance) P-C4' energy: -47.855
flat angles C4'-P-C4' energy: -53.023
flat angles P-C4'-P energy: -36.766
tors. eta vs tors. theta energy: -55.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -656.049486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.049486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.049486 (E_RNA)
where:
Base-Base interactions energy: -443.649
where: short stacking energy: -184.628
Base-Backbone interact. energy: -1.449
local terms energy: -210.951665
where:
bonds (distance) C4'-P energy: -41.822
bonds (distance) P-C4' energy: -46.303
flat angles C4'-P-C4' energy: -59.990
flat angles P-C4'-P energy: -30.536
tors. eta vs tors. theta energy: -32.300
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: 8
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -626.909608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.909608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.909608 (E_RNA)
where:
Base-Base interactions energy: -423.581
where: short stacking energy: -189.168
Base-Backbone interact. energy: -0.718
local terms energy: -202.609878
where:
bonds (distance) C4'-P energy: -36.445
bonds (distance) P-C4' energy: -45.606
flat angles C4'-P-C4' energy: -48.349
flat angles P-C4'-P energy: -29.381
tors. eta vs tors. theta energy: -42.829
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: 7
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -566.246935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.246935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.246935 (E_RNA)
where:
Base-Base interactions energy: -359.427
where: short stacking energy: -154.545
Base-Backbone interact. energy: 0.895
local terms energy: -207.715276
where:
bonds (distance) C4'-P energy: -49.315
bonds (distance) P-C4' energy: -48.611
flat angles C4'-P-C4' energy: -48.838
flat angles P-C4'-P energy: -26.635
tors. eta vs tors. theta energy: -34.316
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: 9
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -257.327354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.327354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.327354 (E_RNA)
where:
Base-Base interactions energy: -102.827
where: short stacking energy: -79.261
Base-Backbone interact. energy: 0.392
local terms energy: -154.892668
where:
bonds (distance) C4'-P energy: -49.157
bonds (distance) P-C4' energy: -46.452
flat angles C4'-P-C4' energy: -47.752
flat angles P-C4'-P energy: -23.221
tors. eta vs tors. theta energy: 11.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -232.412775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.412775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.412775 (E_RNA)
where:
Base-Base interactions energy: -68.300
where: short stacking energy: -61.779
Base-Backbone interact. energy: -0.750
local terms energy: -163.363044
where:
bonds (distance) C4'-P energy: -57.179
bonds (distance) P-C4' energy: -52.686
flat angles C4'-P-C4' energy: -29.522
flat angles P-C4'-P energy: -20.989
tors. eta vs tors. theta energy: -2.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -920.101320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.101320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.101320 (E_RNA)
where:
Base-Base interactions energy: -646.439
where: short stacking energy: -274.001
Base-Backbone interact. energy: -0.892
local terms energy: -272.770882
where:
bonds (distance) C4'-P energy: -46.712
bonds (distance) P-C4' energy: -58.947
flat angles C4'-P-C4' energy: -54.234
flat angles P-C4'-P energy: -37.504
tors. eta vs tors. theta energy: -75.375
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: 2, replica: 3
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -905.280124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.280124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.280124 (E_RNA)
where:
Base-Base interactions energy: -617.193
where: short stacking energy: -271.342
Base-Backbone interact. energy: -0.595
local terms energy: -287.491924
where:
bonds (distance) C4'-P energy: -53.745
bonds (distance) P-C4' energy: -50.480
flat angles C4'-P-C4' energy: -66.150
flat angles P-C4'-P energy: -43.056
tors. eta vs tors. theta energy: -74.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -843.539198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.539198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.539198 (E_RNA)
where:
Base-Base interactions energy: -588.945
where: short stacking energy: -247.642
Base-Backbone interact. energy: 0.796
local terms energy: -255.390349
where:
bonds (distance) C4'-P energy: -57.675
bonds (distance) P-C4' energy: -44.705
flat angles C4'-P-C4' energy: -49.186
flat angles P-C4'-P energy: -38.208
tors. eta vs tors. theta energy: -65.616
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: 4
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -829.188696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.188696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.188696 (E_RNA)
where:
Base-Base interactions energy: -588.233
where: short stacking energy: -239.330
Base-Backbone interact. energy: -1.250
local terms energy: -239.704899
where:
bonds (distance) C4'-P energy: -38.352
bonds (distance) P-C4' energy: -55.596
flat angles C4'-P-C4' energy: -48.308
flat angles P-C4'-P energy: -36.420
tors. eta vs tors. theta energy: -61.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -702.879409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.879409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.879409 (E_RNA)
where:
Base-Base interactions energy: -471.084
where: short stacking energy: -196.911
Base-Backbone interact. energy: -1.481
local terms energy: -230.314770
where:
bonds (distance) C4'-P energy: -42.047
bonds (distance) P-C4' energy: -46.274
flat angles C4'-P-C4' energy: -55.718
flat angles P-C4'-P energy: -30.917
tors. eta vs tors. theta energy: -55.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -624.463904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.463904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.463904 (E_RNA)
where:
Base-Base interactions energy: -401.988
where: short stacking energy: -176.299
Base-Backbone interact. energy: -1.757
local terms energy: -220.719103
where:
bonds (distance) C4'-P energy: -41.973
bonds (distance) P-C4' energy: -49.090
flat angles C4'-P-C4' energy: -52.749
flat angles P-C4'-P energy: -40.778
tors. eta vs tors. theta energy: -36.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -631.825725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.825725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.825725 (E_RNA)
where:
Base-Base interactions energy: -417.713
where: short stacking energy: -172.646
Base-Backbone interact. energy: -2.066
local terms energy: -212.046645
where:
bonds (distance) C4'-P energy: -52.853
bonds (distance) P-C4' energy: -45.042
flat angles C4'-P-C4' energy: -49.638
flat angles P-C4'-P energy: -28.577
tors. eta vs tors. theta energy: -35.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -542.117218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.117218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.117218 (E_RNA)
where:
Base-Base interactions energy: -347.354
where: short stacking energy: -153.087
Base-Backbone interact. energy: 0.952
local terms energy: -195.714996
where:
bonds (distance) C4'-P energy: -46.922
bonds (distance) P-C4' energy: -48.746
flat angles C4'-P-C4' energy: -33.172
flat angles P-C4'-P energy: -39.492
tors. eta vs tors. theta energy: -27.382
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: 9
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -231.953186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.953186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.953186 (E_RNA)
where:
Base-Base interactions energy: -73.032
where: short stacking energy: -56.042
Base-Backbone interact. energy: 4.283
local terms energy: -163.203842
where:
bonds (distance) C4'-P energy: -42.579
bonds (distance) P-C4' energy: -50.144
flat angles C4'-P-C4' energy: -35.070
flat angles P-C4'-P energy: -32.162
tors. eta vs tors. theta energy: -3.248
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: 10
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -231.523232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.523232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.523232 (E_RNA)
where:
Base-Base interactions energy: -96.207
where: short stacking energy: -64.719
Base-Backbone interact. energy: -0.106
local terms energy: -135.209662
where:
bonds (distance) C4'-P energy: -52.629
bonds (distance) P-C4' energy: -51.377
flat angles C4'-P-C4' energy: -25.369
flat angles P-C4'-P energy: -17.420
tors. eta vs tors. theta energy: 11.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -915.720656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.720656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.720656 (E_RNA)
where:
Base-Base interactions energy: -624.824
where: short stacking energy: -271.343
Base-Backbone interact. energy: 0.041
local terms energy: -290.938191
where:
bonds (distance) C4'-P energy: -53.636
bonds (distance) P-C4' energy: -55.180
flat angles C4'-P-C4' energy: -65.084
flat angles P-C4'-P energy: -42.479
tors. eta vs tors. theta energy: -74.560
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: 1
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -921.548980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.548980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.548980 (E_RNA)
where:
Base-Base interactions energy: -646.627
where: short stacking energy: -255.973
Base-Backbone interact. energy: 1.231
local terms energy: -276.153619
where:
bonds (distance) C4'-P energy: -48.796
bonds (distance) P-C4' energy: -53.958
flat angles C4'-P-C4' energy: -60.707
flat angles P-C4'-P energy: -34.945
tors. eta vs tors. theta energy: -77.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -847.437696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.437696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.437696 (E_RNA)
where:
Base-Base interactions energy: -581.877
where: short stacking energy: -256.529
Base-Backbone interact. energy: -3.399
local terms energy: -262.161616
where:
bonds (distance) C4'-P energy: -44.732
bonds (distance) P-C4' energy: -53.083
flat angles C4'-P-C4' energy: -54.707
flat angles P-C4'-P energy: -42.526
tors. eta vs tors. theta energy: -67.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -817.303339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.303339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.303339 (E_RNA)
where:
Base-Base interactions energy: -569.392
where: short stacking energy: -232.019
Base-Backbone interact. energy: -1.049
local terms energy: -246.862485
where:
bonds (distance) C4'-P energy: -44.945
bonds (distance) P-C4' energy: -52.823
flat angles C4'-P-C4' energy: -55.002
flat angles P-C4'-P energy: -35.949
tors. eta vs tors. theta energy: -58.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -719.139030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.139030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.139030 (E_RNA)
where:
Base-Base interactions energy: -470.571
where: short stacking energy: -205.072
Base-Backbone interact. energy: -2.690
local terms energy: -245.877888
where:
bonds (distance) C4'-P energy: -50.814
bonds (distance) P-C4' energy: -57.757
flat angles C4'-P-C4' energy: -58.314
flat angles P-C4'-P energy: -31.313
tors. eta vs tors. theta energy: -47.680
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: 8
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -625.938039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.938039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.938039 (E_RNA)
where:
Base-Base interactions energy: -409.122
where: short stacking energy: -182.648
Base-Backbone interact. energy: -0.121
local terms energy: -216.695448
where:
bonds (distance) C4'-P energy: -40.526
bonds (distance) P-C4' energy: -53.624
flat angles C4'-P-C4' energy: -45.798
flat angles P-C4'-P energy: -26.823
tors. eta vs tors. theta energy: -49.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -647.167917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.167917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.167917 (E_RNA)
where:
Base-Base interactions energy: -424.811
where: short stacking energy: -186.828
Base-Backbone interact. energy: -0.053
local terms energy: -222.304105
where:
bonds (distance) C4'-P energy: -37.516
bonds (distance) P-C4' energy: -56.338
flat angles C4'-P-C4' energy: -59.504
flat angles P-C4'-P energy: -27.811
tors. eta vs tors. theta energy: -41.135
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: 7
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -560.661908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.661908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.661908 (E_RNA)
where:
Base-Base interactions energy: -355.151
where: short stacking energy: -180.044
Base-Backbone interact. energy: 0.180
local terms energy: -205.691171
where:
bonds (distance) C4'-P energy: -45.371
bonds (distance) P-C4' energy: -53.215
flat angles C4'-P-C4' energy: -47.429
flat angles P-C4'-P energy: -27.063
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: 9, replica: 10
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -232.377762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.377762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.377762 (E_RNA)
where:
Base-Base interactions energy: -81.931
where: short stacking energy: -64.196
Base-Backbone interact. energy: -1.759
local terms energy: -148.686998
where:
bonds (distance) C4'-P energy: -34.541
bonds (distance) P-C4' energy: -48.909
flat angles C4'-P-C4' energy: -41.052
flat angles P-C4'-P energy: -27.738
tors. eta vs tors. theta energy: 3.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -256.674567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.674567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.674567 (E_RNA)
where:
Base-Base interactions energy: -110.645
where: short stacking energy: -64.713
Base-Backbone interact. energy: -1.270
local terms energy: -144.759447
where:
bonds (distance) C4'-P energy: -43.473
bonds (distance) P-C4' energy: -38.894
flat angles C4'-P-C4' energy: -45.970
flat angles P-C4'-P energy: -25.624
tors. eta vs tors. theta energy: 9.202
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: 3
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -916.181344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.181344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.181344 (E_RNA)
where:
Base-Base interactions energy: -624.326
where: short stacking energy: -272.389
Base-Backbone interact. energy: -1.529
local terms energy: -290.326873
where:
bonds (distance) C4'-P energy: -56.428
bonds (distance) P-C4' energy: -50.506
flat angles C4'-P-C4' energy: -63.044
flat angles P-C4'-P energy: -40.029
tors. eta vs tors. theta energy: -80.319
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: 2, replica: 1
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -894.729829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.729829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.729829 (E_RNA)
where:
Base-Base interactions energy: -625.372
where: short stacking energy: -245.636
Base-Backbone interact. energy: -2.278
local terms energy: -267.079514
where:
bonds (distance) C4'-P energy: -46.011
bonds (distance) P-C4' energy: -54.780
flat angles C4'-P-C4' energy: -63.346
flat angles P-C4'-P energy: -35.646
tors. eta vs tors. theta energy: -67.295
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: 5
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -849.244590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.244590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.244590 (E_RNA)
where:
Base-Base interactions energy: -575.436
where: short stacking energy: -266.087
Base-Backbone interact. energy: -0.507
local terms energy: -273.301235
where:
bonds (distance) C4'-P energy: -50.736
bonds (distance) P-C4' energy: -56.756
flat angles C4'-P-C4' energy: -59.641
flat angles P-C4'-P energy: -39.678
tors. eta vs tors. theta energy: -66.491
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: 4
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -818.304681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.304681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.304681 (E_RNA)
where:
Base-Base interactions energy: -560.763
where: short stacking energy: -235.919
Base-Backbone interact. energy: 0.087
local terms energy: -257.628424
where:
bonds (distance) C4'-P energy: -48.685
bonds (distance) P-C4' energy: -51.925
flat angles C4'-P-C4' energy: -56.109
flat angles P-C4'-P energy: -42.716
tors. eta vs tors. theta energy: -58.194
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: 2
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -708.447356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.447356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.447356 (E_RNA)
where:
Base-Base interactions energy: -468.625
where: short stacking energy: -218.023
Base-Backbone interact. energy: -1.129
local terms energy: -238.693363
where:
bonds (distance) C4'-P energy: -44.429
bonds (distance) P-C4' energy: -51.388
flat angles C4'-P-C4' energy: -56.497
flat angles P-C4'-P energy: -32.953
tors. eta vs tors. theta energy: -53.427
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: 8
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -665.382494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.382494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.382494 (E_RNA)
where:
Base-Base interactions energy: -438.997
where: short stacking energy: -198.212
Base-Backbone interact. energy: -2.070
local terms energy: -224.315223
where:
bonds (distance) C4'-P energy: -43.369
bonds (distance) P-C4' energy: -50.827
flat angles C4'-P-C4' energy: -51.032
flat angles P-C4'-P energy: -32.473
tors. eta vs tors. theta energy: -46.614
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: 7, replica: 6
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -657.993825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.993825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.993825 (E_RNA)
where:
Base-Base interactions energy: -452.040
where: short stacking energy: -192.663
Base-Backbone interact. energy: 1.759
local terms energy: -207.712284
where:
bonds (distance) C4'-P energy: -43.108
bonds (distance) P-C4' energy: -44.390
flat angles C4'-P-C4' energy: -45.231
flat angles P-C4'-P energy: -36.742
tors. eta vs tors. theta energy: -38.241
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: 8, replica: 7
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -583.698614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.698614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.698614 (E_RNA)
where:
Base-Base interactions energy: -387.035
where: short stacking energy: -168.182
Base-Backbone interact. energy: -0.726
local terms energy: -195.937858
where:
bonds (distance) C4'-P energy: -35.017
bonds (distance) P-C4' energy: -44.207
flat angles C4'-P-C4' energy: -40.987
flat angles P-C4'-P energy: -38.839
tors. eta vs tors. theta energy: -36.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -252.932921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.932921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.932921 (E_RNA)
where:
Base-Base interactions energy: -92.938
where: short stacking energy: -81.698
Base-Backbone interact. energy: -1.034
local terms energy: -158.960790
where:
bonds (distance) C4'-P energy: -48.392
bonds (distance) P-C4' energy: -43.976
flat angles C4'-P-C4' energy: -35.342
flat angles P-C4'-P energy: -31.423
tors. eta vs tors. theta energy: 0.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -222.261630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.261630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.261630 (E_RNA)
where:
Base-Base interactions energy: -63.411
where: short stacking energy: -48.556
Base-Backbone interact. energy: 0.710
local terms energy: -159.560561
where:
bonds (distance) C4'-P energy: -49.161
bonds (distance) P-C4' energy: -40.522
flat angles C4'-P-C4' energy: -44.778
flat angles P-C4'-P energy: -33.648
tors. eta vs tors. theta energy: 8.548
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: 1, replica: 3
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -902.291233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.291233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.291233 (E_RNA)
where:
Base-Base interactions energy: -621.835
where: short stacking energy: -270.290
Base-Backbone interact. energy: 2.516
local terms energy: -282.972210
where:
bonds (distance) C4'-P energy: -48.668
bonds (distance) P-C4' energy: -54.991
flat angles C4'-P-C4' energy: -62.918
flat angles P-C4'-P energy: -36.858
tors. eta vs tors. theta energy: -79.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -917.914977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.914977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.914977 (E_RNA)
where:
Base-Base interactions energy: -641.950
where: short stacking energy: -267.307
Base-Backbone interact. energy: -1.613
local terms energy: -274.352587
where:
bonds (distance) C4'-P energy: -53.887
bonds (distance) P-C4' energy: -52.019
flat angles C4'-P-C4' energy: -57.051
flat angles P-C4'-P energy: -39.915
tors. eta vs tors. theta energy: -71.481
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: 5
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -824.246653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.246653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.246653 (E_RNA)
where:
Base-Base interactions energy: -566.609
where: short stacking energy: -244.432
Base-Backbone interact. energy: -1.053
local terms energy: -256.584385
where:
bonds (distance) C4'-P energy: -57.857
bonds (distance) P-C4' energy: -50.019
flat angles C4'-P-C4' energy: -50.568
flat angles P-C4'-P energy: -34.739
tors. eta vs tors. theta energy: -63.402
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: 4, replica: 4
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -824.409338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.409338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.409338 (E_RNA)
where:
Base-Base interactions energy: -563.660
where: short stacking energy: -241.942
Base-Backbone interact. energy: -1.528
local terms energy: -259.221289
where:
bonds (distance) C4'-P energy: -41.332
bonds (distance) P-C4' energy: -49.418
flat angles C4'-P-C4' energy: -58.741
flat angles P-C4'-P energy: -42.957
tors. eta vs tors. theta energy: -66.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -718.236354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.236354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.236354 (E_RNA)
where:
Base-Base interactions energy: -477.613
where: short stacking energy: -218.453
Base-Backbone interact. energy: -1.654
local terms energy: -238.968724
where:
bonds (distance) C4'-P energy: -54.923
bonds (distance) P-C4' energy: -47.707
flat angles C4'-P-C4' energy: -57.672
flat angles P-C4'-P energy: -27.237
tors. eta vs tors. theta energy: -51.430
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: 8
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -641.765649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.765649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.765649 (E_RNA)
where:
Base-Base interactions energy: -406.036
where: short stacking energy: -194.361
Base-Backbone interact. energy: -0.473
local terms energy: -235.256089
where:
bonds (distance) C4'-P energy: -47.459
bonds (distance) P-C4' energy: -49.578
flat angles C4'-P-C4' energy: -51.976
flat angles P-C4'-P energy: -28.965
tors. eta vs tors. theta energy: -57.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -610.012445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.012445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.012445 (E_RNA)
where:
Base-Base interactions energy: -390.167
where: short stacking energy: -187.482
Base-Backbone interact. energy: -0.927
local terms energy: -218.918741
where:
bonds (distance) C4'-P energy: -49.686
bonds (distance) P-C4' energy: -50.756
flat angles C4'-P-C4' energy: -48.947
flat angles P-C4'-P energy: -23.011
tors. eta vs tors. theta energy: -46.518
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: 6
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -631.331119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.331119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.331119 (E_RNA)
where:
Base-Base interactions energy: -432.521
where: short stacking energy: -197.465
Base-Backbone interact. energy: 0.106
local terms energy: -198.916337
where:
bonds (distance) C4'-P energy: -46.088
bonds (distance) P-C4' energy: -42.649
flat angles C4'-P-C4' energy: -42.961
flat angles P-C4'-P energy: -25.146
tors. eta vs tors. theta energy: -42.073
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: 9, replica: 10
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -280.500885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.500885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.500885 (E_RNA)
where:
Base-Base interactions energy: -108.609
where: short stacking energy: -65.875
Base-Backbone interact. energy: -0.853
local terms energy: -171.038319
where:
bonds (distance) C4'-P energy: -49.109
bonds (distance) P-C4' energy: -50.699
flat angles C4'-P-C4' energy: -41.647
flat angles P-C4'-P energy: -24.015
tors. eta vs tors. theta energy: -5.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -216.142794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.142794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.142794 (E_RNA)
where:
Base-Base interactions energy: -78.731
where: short stacking energy: -45.765
Base-Backbone interact. energy: 1.890
local terms energy: -139.301850
where:
bonds (distance) C4'-P energy: -48.330
bonds (distance) P-C4' energy: -36.748
flat angles C4'-P-C4' energy: -35.350
flat angles P-C4'-P energy: -25.402
tors. eta vs tors. theta energy: 6.528
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: 1, replica: 3
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -908.218440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.218440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.218440 (E_RNA)
where:
Base-Base interactions energy: -623.214
where: short stacking energy: -272.519
Base-Backbone interact. energy: 0.130
local terms energy: -285.134735
where:
bonds (distance) C4'-P energy: -49.391
bonds (distance) P-C4' energy: -56.427
flat angles C4'-P-C4' energy: -55.549
flat angles P-C4'-P energy: -40.202
tors. eta vs tors. theta energy: -83.565
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: 2, replica: 1
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -895.100479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.100479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.100479 (E_RNA)
where:
Base-Base interactions energy: -617.602
where: short stacking energy: -259.092
Base-Backbone interact. energy: -1.602
local terms energy: -275.896013
where:
bonds (distance) C4'-P energy: -56.013
bonds (distance) P-C4' energy: -57.006
flat angles C4'-P-C4' energy: -57.543
flat angles P-C4'-P energy: -36.613
tors. eta vs tors. theta energy: -68.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -833.881393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.881393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.881393 (E_RNA)
where:
Base-Base interactions energy: -564.933
where: short stacking energy: -247.315
Base-Backbone interact. energy: -1.043
local terms energy: -267.904564
where:
bonds (distance) C4'-P energy: -48.592
bonds (distance) P-C4' energy: -56.400
flat angles C4'-P-C4' energy: -55.245
flat angles P-C4'-P energy: -38.802
tors. eta vs tors. theta energy: -68.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -856.356183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.356183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.356183 (E_RNA)
where:
Base-Base interactions energy: -589.761
where: short stacking energy: -244.978
Base-Backbone interact. energy: -1.642
local terms energy: -264.953484
where:
bonds (distance) C4'-P energy: -52.400
bonds (distance) P-C4' energy: -53.455
flat angles C4'-P-C4' energy: -51.201
flat angles P-C4'-P energy: -34.944
tors. eta vs tors. theta energy: -72.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -756.490703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.490703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.490703 (E_RNA)
where:
Base-Base interactions energy: -510.826
where: short stacking energy: -220.773
Base-Backbone interact. energy: -1.404
local terms energy: -244.260812
where:
bonds (distance) C4'-P energy: -46.755
bonds (distance) P-C4' energy: -46.601
flat angles C4'-P-C4' energy: -51.829
flat angles P-C4'-P energy: -37.280
tors. eta vs tors. theta energy: -61.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -654.261142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.261142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.261142 (E_RNA)
where:
Base-Base interactions energy: -426.531
where: short stacking energy: -203.099
Base-Backbone interact. energy: -0.728
local terms energy: -227.001870
where:
bonds (distance) C4'-P energy: -47.230
bonds (distance) P-C4' energy: -52.403
flat angles C4'-P-C4' energy: -41.829
flat angles P-C4'-P energy: -31.859
tors. eta vs tors. theta energy: -53.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -596.690446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.690446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.690446 (E_RNA)
where:
Base-Base interactions energy: -376.267
where: short stacking energy: -147.157
Base-Backbone interact. energy: 1.011
local terms energy: -221.433778
where:
bonds (distance) C4'-P energy: -54.630
bonds (distance) P-C4' energy: -41.959
flat angles C4'-P-C4' energy: -54.111
flat angles P-C4'-P energy: -29.956
tors. eta vs tors. theta energy: -40.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -681.473958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.473958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.473958 (E_RNA)
where:
Base-Base interactions energy: -478.094
where: short stacking energy: -213.215
Base-Backbone interact. energy: -0.855
local terms energy: -202.525513
where:
bonds (distance) C4'-P energy: -34.962
bonds (distance) P-C4' energy: -41.858
flat angles C4'-P-C4' energy: -44.149
flat angles P-C4'-P energy: -30.918
tors. eta vs tors. theta energy: -50.638
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: 9, replica: 10
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -249.514934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.514934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.514934 (E_RNA)
where:
Base-Base interactions energy: -112.620
where: short stacking energy: -75.815
Base-Backbone interact. energy: -1.161
local terms energy: -135.733970
where:
bonds (distance) C4'-P energy: -34.719
bonds (distance) P-C4' energy: -37.955
flat angles C4'-P-C4' energy: -42.916
flat angles P-C4'-P energy: -23.618
tors. eta vs tors. theta energy: 3.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -276.321087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.321087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.321087 (E_RNA)
where:
Base-Base interactions energy: -135.354
where: short stacking energy: -66.489
Base-Backbone interact. energy: 0.095
local terms energy: -141.061418
where:
bonds (distance) C4'-P energy: -31.526
bonds (distance) P-C4' energy: -39.560
flat angles C4'-P-C4' energy: -33.295
flat angles P-C4'-P energy: -28.696
tors. eta vs tors. theta energy: -7.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -905.715874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.715874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.715874 (E_RNA)
where:
Base-Base interactions energy: -633.517
where: short stacking energy: -255.053
Base-Backbone interact. energy: -1.415
local terms energy: -270.784686
where:
bonds (distance) C4'-P energy: -53.189
bonds (distance) P-C4' energy: -55.646
flat angles C4'-P-C4' energy: -58.373
flat angles P-C4'-P energy: -34.992
tors. eta vs tors. theta energy: -68.584
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: 3
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -890.836817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.836817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.836817 (E_RNA)
where:
Base-Base interactions energy: -620.393
where: short stacking energy: -257.562
Base-Backbone interact. energy: -1.124
local terms energy: -269.320028
where:
bonds (distance) C4'-P energy: -50.845
bonds (distance) P-C4' energy: -44.846
flat angles C4'-P-C4' energy: -54.613
flat angles P-C4'-P energy: -42.891
tors. eta vs tors. theta energy: -76.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -882.914220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.914220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.914220 (E_RNA)
where:
Base-Base interactions energy: -617.572
where: short stacking energy: -247.236
Base-Backbone interact. energy: 0.328
local terms energy: -265.669402
where:
bonds (distance) C4'-P energy: -41.102
bonds (distance) P-C4' energy: -53.498
flat angles C4'-P-C4' energy: -57.852
flat angles P-C4'-P energy: -41.620
tors. eta vs tors. theta energy: -71.597
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: 4, replica: 5
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -810.907810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.907810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.907810 (E_RNA)
where:
Base-Base interactions energy: -563.454
where: short stacking energy: -230.545
Base-Backbone interact. energy: 0.768
local terms energy: -248.221313
where:
bonds (distance) C4'-P energy: -58.612
bonds (distance) P-C4' energy: -46.926
flat angles C4'-P-C4' energy: -51.532
flat angles P-C4'-P energy: -30.264
tors. eta vs tors. theta energy: -60.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -765.194764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.194764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.194764 (E_RNA)
where:
Base-Base interactions energy: -516.771
where: short stacking energy: -220.532
Base-Backbone interact. energy: 1.231
local terms energy: -249.654343
where:
bonds (distance) C4'-P energy: -52.583
bonds (distance) P-C4' energy: -53.251
flat angles C4'-P-C4' energy: -54.657
flat angles P-C4'-P energy: -39.804
tors. eta vs tors. theta energy: -49.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -645.235323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.235323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.235323 (E_RNA)
where:
Base-Base interactions energy: -428.154
where: short stacking energy: -195.883
Base-Backbone interact. energy: 1.666
local terms energy: -218.746856
where:
bonds (distance) C4'-P energy: -44.360
bonds (distance) P-C4' energy: -49.303
flat angles C4'-P-C4' energy: -50.851
flat angles P-C4'-P energy: -30.929
tors. eta vs tors. theta energy: -43.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -653.239133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.239133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.239133 (E_RNA)
where:
Base-Base interactions energy: -422.017
where: short stacking energy: -171.297
Base-Backbone interact. energy: -0.925
local terms energy: -230.296914
where:
bonds (distance) C4'-P energy: -49.172
bonds (distance) P-C4' energy: -53.455
flat angles C4'-P-C4' energy: -42.457
flat angles P-C4'-P energy: -39.476
tors. eta vs tors. theta energy: -45.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -546.066849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.066849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.066849 (E_RNA)
where:
Base-Base interactions energy: -352.216
where: short stacking energy: -157.408
Base-Backbone interact. energy: 0.000
local terms energy: -193.851367
where:
bonds (distance) C4'-P energy: -42.336
bonds (distance) P-C4' energy: -50.047
flat angles C4'-P-C4' energy: -39.386
flat angles P-C4'-P energy: -27.422
tors. eta vs tors. theta energy: -34.661
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: 9, replica: 9
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -299.052282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.052282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.052282 (E_RNA)
where:
Base-Base interactions energy: -149.798
where: short stacking energy: -86.189
Base-Backbone interact. energy: -0.587
local terms energy: -148.667469
where:
bonds (distance) C4'-P energy: -49.905
bonds (distance) P-C4' energy: -33.653
flat angles C4'-P-C4' energy: -40.191
flat angles P-C4'-P energy: -15.927
tors. eta vs tors. theta energy: -8.992
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: 10
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -260.185721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.185721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.185721 (E_RNA)
where:
Base-Base interactions energy: -118.861
where: short stacking energy: -73.958
Base-Backbone interact. energy: 1.581
local terms energy: -142.905920
where:
bonds (distance) C4'-P energy: -42.346
bonds (distance) P-C4' energy: -51.406
flat angles C4'-P-C4' energy: -28.986
flat angles P-C4'-P energy: -21.403
tors. eta vs tors. theta energy: 1.235
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: 1
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -925.568457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.568457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.568457 (E_RNA)
where:
Base-Base interactions energy: -636.864
where: short stacking energy: -274.466
Base-Backbone interact. energy: -3.719
local terms energy: -284.985658
where:
bonds (distance) C4'-P energy: -50.306
bonds (distance) P-C4' energy: -55.231
flat angles C4'-P-C4' energy: -61.746
flat angles P-C4'-P energy: -44.213
tors. eta vs tors. theta energy: -73.489
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: 3
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -869.511873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.511873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.511873 (E_RNA)
where:
Base-Base interactions energy: -594.184
where: short stacking energy: -234.658
Base-Backbone interact. energy: -1.795
local terms energy: -273.532697
where:
bonds (distance) C4'-P energy: -53.911
bonds (distance) P-C4' energy: -55.918
flat angles C4'-P-C4' energy: -57.750
flat angles P-C4'-P energy: -45.040
tors. eta vs tors. theta energy: -60.914
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: 4
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -888.652634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.652634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.652634 (E_RNA)
where:
Base-Base interactions energy: -629.296
where: short stacking energy: -260.705
Base-Backbone interact. energy: 0.887
local terms energy: -260.243349
where:
bonds (distance) C4'-P energy: -50.118
bonds (distance) P-C4' energy: -45.171
flat angles C4'-P-C4' energy: -59.202
flat angles P-C4'-P energy: -36.354
tors. eta vs tors. theta energy: -69.398
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: 5
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -799.079693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.079693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.079693 (E_RNA)
where:
Base-Base interactions energy: -544.228
where: short stacking energy: -231.378
Base-Backbone interact. energy: -0.314
local terms energy: -254.537707
where:
bonds (distance) C4'-P energy: -46.475
bonds (distance) P-C4' energy: -45.988
flat angles C4'-P-C4' energy: -61.115
flat angles P-C4'-P energy: -41.523
tors. eta vs tors. theta energy: -59.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -731.032957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.032957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.032957 (E_RNA)
where:
Base-Base interactions energy: -503.922
where: short stacking energy: -244.913
Base-Backbone interact. energy: 0.218
local terms energy: -227.328806
where:
bonds (distance) C4'-P energy: -33.399
bonds (distance) P-C4' energy: -49.728
flat angles C4'-P-C4' energy: -49.344
flat angles P-C4'-P energy: -40.296
tors. eta vs tors. theta energy: -54.561
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: 6, replica: 7
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -630.258399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.258399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.258399 (E_RNA)
where:
Base-Base interactions energy: -411.050
where: short stacking energy: -180.541
Base-Backbone interact. energy: -1.303
local terms energy: -217.905497
where:
bonds (distance) C4'-P energy: -41.139
bonds (distance) P-C4' energy: -46.173
flat angles C4'-P-C4' energy: -54.469
flat angles P-C4'-P energy: -33.251
tors. eta vs tors. theta energy: -42.874
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: 6
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -640.874342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.874342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.874342 (E_RNA)
where:
Base-Base interactions energy: -420.906
where: short stacking energy: -174.637
Base-Backbone interact. energy: -1.012
local terms energy: -218.955985
where:
bonds (distance) C4'-P energy: -49.626
bonds (distance) P-C4' energy: -44.857
flat angles C4'-P-C4' energy: -46.858
flat angles P-C4'-P energy: -36.040
tors. eta vs tors. theta energy: -41.576
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: 8
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -580.440540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.440540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.440540 (E_RNA)
where:
Base-Base interactions energy: -384.234
where: short stacking energy: -177.988
Base-Backbone interact. energy: 0.141
local terms energy: -196.347762
where:
bonds (distance) C4'-P energy: -52.475
bonds (distance) P-C4' energy: -36.308
flat angles C4'-P-C4' energy: -50.100
flat angles P-C4'-P energy: -26.264
tors. eta vs tors. theta energy: -31.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -292.749735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.749735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.749735 (E_RNA)
where:
Base-Base interactions energy: -131.544
where: short stacking energy: -93.005
Base-Backbone interact. energy: -0.453
local terms energy: -160.752193
where:
bonds (distance) C4'-P energy: -39.742
bonds (distance) P-C4' energy: -40.099
flat angles C4'-P-C4' energy: -40.013
flat angles P-C4'-P energy: -28.802
tors. eta vs tors. theta energy: -12.096
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: 10, replica: 10
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -302.615074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.615074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.615074 (E_RNA)
where:
Base-Base interactions energy: -133.880
where: short stacking energy: -81.312
Base-Backbone interact. energy: -0.644
local terms energy: -168.090558
where:
bonds (distance) C4'-P energy: -54.143
bonds (distance) P-C4' energy: -53.073
flat angles C4'-P-C4' energy: -35.921
flat angles P-C4'-P energy: -20.798
tors. eta vs tors. theta energy: -4.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -933.491805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.491805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.491805 (E_RNA)
where:
Base-Base interactions energy: -657.694
where: short stacking energy: -282.451
Base-Backbone interact. energy: -1.850
local terms energy: -273.947610
where:
bonds (distance) C4'-P energy: -50.554
bonds (distance) P-C4' energy: -53.298
flat angles C4'-P-C4' energy: -56.772
flat angles P-C4'-P energy: -39.950
tors. eta vs tors. theta energy: -73.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -895.754893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.754893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.754893 (E_RNA)
where:
Base-Base interactions energy: -621.039
where: short stacking energy: -262.451
Base-Backbone interact. energy: -1.516
local terms energy: -273.199406
where:
bonds (distance) C4'-P energy: -51.422
bonds (distance) P-C4' energy: -55.234
flat angles C4'-P-C4' energy: -51.898
flat angles P-C4'-P energy: -40.882
tors. eta vs tors. theta energy: -73.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -855.721431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.721431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.721431 (E_RNA)
where:
Base-Base interactions energy: -611.039
where: short stacking energy: -253.167
Base-Backbone interact. energy: -0.273
local terms energy: -244.409376
where:
bonds (distance) C4'-P energy: -40.947
bonds (distance) P-C4' energy: -55.063
flat angles C4'-P-C4' energy: -54.539
flat angles P-C4'-P energy: -28.996
tors. eta vs tors. theta energy: -64.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -800.022511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.022511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.022511 (E_RNA)
where:
Base-Base interactions energy: -547.309
where: short stacking energy: -233.044
Base-Backbone interact. energy: 2.325
local terms energy: -255.038809
where:
bonds (distance) C4'-P energy: -47.131
bonds (distance) P-C4' energy: -53.147
flat angles C4'-P-C4' energy: -50.249
flat angles P-C4'-P energy: -37.678
tors. eta vs tors. theta energy: -66.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -747.850129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.850129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.850129 (E_RNA)
where:
Base-Base interactions energy: -498.436
where: short stacking energy: -224.492
Base-Backbone interact. energy: -0.198
local terms energy: -249.216178
where:
bonds (distance) C4'-P energy: -47.677
bonds (distance) P-C4' energy: -40.141
flat angles C4'-P-C4' energy: -57.750
flat angles P-C4'-P energy: -43.474
tors. eta vs tors. theta energy: -60.173
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: 7
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -626.516479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.516479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.516479 (E_RNA)
where:
Base-Base interactions energy: -416.442
where: short stacking energy: -198.922
Base-Backbone interact. energy: -1.134
local terms energy: -208.941354
where:
bonds (distance) C4'-P energy: -41.227
bonds (distance) P-C4' energy: -49.292
flat angles C4'-P-C4' energy: -48.206
flat angles P-C4'-P energy: -23.230
tors. eta vs tors. theta energy: -46.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -602.878378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.878378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.878378 (E_RNA)
where:
Base-Base interactions energy: -387.985
where: short stacking energy: -186.858
Base-Backbone interact. energy: -2.387
local terms energy: -212.506936
where:
bonds (distance) C4'-P energy: -42.916
bonds (distance) P-C4' energy: -47.302
flat angles C4'-P-C4' energy: -44.934
flat angles P-C4'-P energy: -35.833
tors. eta vs tors. theta energy: -41.522
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: 8, replica: 6
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -635.864092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.864092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.864092 (E_RNA)
where:
Base-Base interactions energy: -421.570
where: short stacking energy: -177.394
Base-Backbone interact. energy: -1.463
local terms energy: -212.831265
where:
bonds (distance) C4'-P energy: -47.501
bonds (distance) P-C4' energy: -53.235
flat angles C4'-P-C4' energy: -40.957
flat angles P-C4'-P energy: -29.593
tors. eta vs tors. theta energy: -41.545
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: 9, replica: 10
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -313.544432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.544432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.544432 (E_RNA)
where:
Base-Base interactions energy: -141.455
where: short stacking energy: -80.564
Base-Backbone interact. energy: 2.022
local terms energy: -174.111552
where:
bonds (distance) C4'-P energy: -47.630
bonds (distance) P-C4' energy: -60.729
flat angles C4'-P-C4' energy: -37.330
flat angles P-C4'-P energy: -24.501
tors. eta vs tors. theta energy: -3.922
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: 10, replica: 9
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -273.711852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.711852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.711852 (E_RNA)
where:
Base-Base interactions energy: -126.462
where: short stacking energy: -78.086
Base-Backbone interact. energy: -2.072
local terms energy: -145.177386
where:
bonds (distance) C4'-P energy: -46.213
bonds (distance) P-C4' energy: -46.684
flat angles C4'-P-C4' energy: -36.833
flat angles P-C4'-P energy: -21.605
tors. eta vs tors. theta energy: 6.158
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: 1
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -924.502202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.502202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.502202 (E_RNA)
where:
Base-Base interactions energy: -646.392
where: short stacking energy: -257.547
Base-Backbone interact. energy: -1.076
local terms energy: -277.034327
where:
bonds (distance) C4'-P energy: -55.938
bonds (distance) P-C4' energy: -46.289
flat angles C4'-P-C4' energy: -58.311
flat angles P-C4'-P energy: -45.862
tors. eta vs tors. theta energy: -70.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -883.066543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.066543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.066543 (E_RNA)
where:
Base-Base interactions energy: -617.968
where: short stacking energy: -252.394
Base-Backbone interact. energy: -1.180
local terms energy: -263.918517
where:
bonds (distance) C4'-P energy: -38.412
bonds (distance) P-C4' energy: -54.453
flat angles C4'-P-C4' energy: -61.620
flat angles P-C4'-P energy: -38.046
tors. eta vs tors. theta energy: -71.389
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: 4
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -865.687994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.687994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.687994 (E_RNA)
where:
Base-Base interactions energy: -605.098
where: short stacking energy: -248.963
Base-Backbone interact. energy: 2.011
local terms energy: -262.601481
where:
bonds (distance) C4'-P energy: -42.661
bonds (distance) P-C4' energy: -53.064
flat angles C4'-P-C4' energy: -60.841
flat angles P-C4'-P energy: -37.968
tors. eta vs tors. theta energy: -68.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -840.850260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.850260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.850260 (E_RNA)
where:
Base-Base interactions energy: -580.965
where: short stacking energy: -247.825
Base-Backbone interact. energy: -1.328
local terms energy: -258.557693
where:
bonds (distance) C4'-P energy: -46.155
bonds (distance) P-C4' energy: -50.770
flat angles C4'-P-C4' energy: -54.964
flat angles P-C4'-P energy: -34.402
tors. eta vs tors. theta energy: -72.266
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: 5, replica: 2
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -772.126842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.126842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.126842 (E_RNA)
where:
Base-Base interactions energy: -524.228
where: short stacking energy: -228.722
Base-Backbone interact. energy: -1.285
local terms energy: -246.612966
where:
bonds (distance) C4'-P energy: -53.412
bonds (distance) P-C4' energy: -43.211
flat angles C4'-P-C4' energy: -48.001
flat angles P-C4'-P energy: -36.543
tors. eta vs tors. theta energy: -65.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -673.107374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.107374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.107374 (E_RNA)
where:
Base-Base interactions energy: -464.937
where: short stacking energy: -199.417
Base-Backbone interact. energy: 0.757
local terms energy: -208.926981
where:
bonds (distance) C4'-P energy: -37.474
bonds (distance) P-C4' energy: -45.576
flat angles C4'-P-C4' energy: -45.850
flat angles P-C4'-P energy: -33.642
tors. eta vs tors. theta energy: -46.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -608.939680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.939680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.939680 (E_RNA)
where:
Base-Base interactions energy: -379.810
where: short stacking energy: -177.673
Base-Backbone interact. energy: -0.641
local terms energy: -228.488598
where:
bonds (distance) C4'-P energy: -44.104
bonds (distance) P-C4' energy: -46.965
flat angles C4'-P-C4' energy: -56.537
flat angles P-C4'-P energy: -22.419
tors. eta vs tors. theta energy: -58.463
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: 6
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -631.711929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.711929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.711929 (E_RNA)
where:
Base-Base interactions energy: -431.107
where: short stacking energy: -179.695
Base-Backbone interact. energy: -0.002
local terms energy: -200.603141
where:
bonds (distance) C4'-P energy: -34.853
bonds (distance) P-C4' energy: -48.692
flat angles C4'-P-C4' energy: -46.232
flat angles P-C4'-P energy: -34.095
tors. eta vs tors. theta energy: -36.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -318.953358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.953358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.953358 (E_RNA)
where:
Base-Base interactions energy: -165.651
where: short stacking energy: -84.982
Base-Backbone interact. energy: 0.617
local terms energy: -153.918679
where:
bonds (distance) C4'-P energy: -41.628
bonds (distance) P-C4' energy: -42.880
flat angles C4'-P-C4' energy: -36.159
flat angles P-C4'-P energy: -25.558
tors. eta vs tors. theta energy: -7.693
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: 9
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -221.797067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.797067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.797067 (E_RNA)
where:
Base-Base interactions energy: -73.768
where: short stacking energy: -58.408
Base-Backbone interact. energy: -1.191
local terms energy: -146.838000
where:
bonds (distance) C4'-P energy: -41.348
bonds (distance) P-C4' energy: -41.520
flat angles C4'-P-C4' energy: -46.628
flat angles P-C4'-P energy: -24.434
tors. eta vs tors. theta energy: 7.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -906.833810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.833810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.833810 (E_RNA)
where:
Base-Base interactions energy: -644.167
where: short stacking energy: -257.901
Base-Backbone interact. energy: 0.427
local terms energy: -263.093329
where:
bonds (distance) C4'-P energy: -38.934
bonds (distance) P-C4' energy: -53.921
flat angles C4'-P-C4' energy: -60.784
flat angles P-C4'-P energy: -43.537
tors. eta vs tors. theta energy: -65.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -895.548915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.548915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.548915 (E_RNA)
where:
Base-Base interactions energy: -621.515
where: short stacking energy: -263.772
Base-Backbone interact. energy: -0.243
local terms energy: -273.791536
where:
bonds (distance) C4'-P energy: -48.190
bonds (distance) P-C4' energy: -48.450
flat angles C4'-P-C4' energy: -60.815
flat angles P-C4'-P energy: -39.454
tors. eta vs tors. theta energy: -76.882
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: 202
Temperature: 1.000000
Total energy: -886.072341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.072341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.072341 (E_RNA)
where:
Base-Base interactions energy: -608.956
where: short stacking energy: -252.832
Base-Backbone interact. energy: -0.518
local terms energy: -276.598027
where:
bonds (distance) C4'-P energy: -53.809
bonds (distance) P-C4' energy: -52.607
flat angles C4'-P-C4' energy: -62.161
flat angles P-C4'-P energy: -40.580
tors. eta vs tors. theta energy: -67.441
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: 4, replica: 5
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -846.235614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.235614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.235614 (E_RNA)
where:
Base-Base interactions energy: -592.636
where: short stacking energy: -249.218
Base-Backbone interact. energy: -0.883
local terms energy: -252.716583
where:
bonds (distance) C4'-P energy: -41.659
bonds (distance) P-C4' energy: -49.207
flat angles C4'-P-C4' energy: -52.309
flat angles P-C4'-P energy: -34.839
tors. eta vs tors. theta energy: -74.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -729.909822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.909822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.909822 (E_RNA)
where:
Base-Base interactions energy: -501.628
where: short stacking energy: -215.174
Base-Backbone interact. energy: 0.522
local terms energy: -228.804381
where:
bonds (distance) C4'-P energy: -52.436
bonds (distance) P-C4' energy: -44.947
flat angles C4'-P-C4' energy: -52.982
flat angles P-C4'-P energy: -26.026
tors. eta vs tors. theta energy: -52.414
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: 7
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -660.937415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.937415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.937415 (E_RNA)
where:
Base-Base interactions energy: -435.028
where: short stacking energy: -172.588
Base-Backbone interact. energy: -1.718
local terms energy: -224.191398
where:
bonds (distance) C4'-P energy: -51.377
bonds (distance) P-C4' energy: -42.711
flat angles C4'-P-C4' energy: -50.562
flat angles P-C4'-P energy: -36.944
tors. eta vs tors. theta energy: -42.597
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: 7, replica: 6
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -641.875907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.875907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.875907 (E_RNA)
where:
Base-Base interactions energy: -418.037
where: short stacking energy: -171.018
Base-Backbone interact. energy: -2.176
local terms energy: -221.663308
where:
bonds (distance) C4'-P energy: -43.066
bonds (distance) P-C4' energy: -59.891
flat angles C4'-P-C4' energy: -47.085
flat angles P-C4'-P energy: -35.529
tors. eta vs tors. theta energy: -36.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -578.332462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.332462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.332462 (E_RNA)
where:
Base-Base interactions energy: -366.725
where: short stacking energy: -171.994
Base-Backbone interact. energy: -0.136
local terms energy: -211.472225
where:
bonds (distance) C4'-P energy: -37.804
bonds (distance) P-C4' energy: -51.517
flat angles C4'-P-C4' energy: -51.333
flat angles P-C4'-P energy: -37.010
tors. eta vs tors. theta energy: -33.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -257.983613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.983613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.983613 (E_RNA)
where:
Base-Base interactions energy: -88.920
where: short stacking energy: -77.742
Base-Backbone interact. energy: -1.110
local terms energy: -167.952735
where:
bonds (distance) C4'-P energy: -46.977
bonds (distance) P-C4' energy: -48.985
flat angles C4'-P-C4' energy: -47.271
flat angles P-C4'-P energy: -17.814
tors. eta vs tors. theta energy: -6.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -289.039076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.039076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.039076 (E_RNA)
where:
Base-Base interactions energy: -144.772
where: short stacking energy: -82.802
Base-Backbone interact. energy: -0.467
local terms energy: -143.800602
where:
bonds (distance) C4'-P energy: -43.452
bonds (distance) P-C4' energy: -40.398
flat angles C4'-P-C4' energy: -41.703
flat angles P-C4'-P energy: -16.444
tors. eta vs tors. theta energy: -1.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -925.280160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.280160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.280160 (E_RNA)
where:
Base-Base interactions energy: -636.076
where: short stacking energy: -267.553
Base-Backbone interact. energy: -0.154
local terms energy: -289.050555
where:
bonds (distance) C4'-P energy: -59.332
bonds (distance) P-C4' energy: -58.507
flat angles C4'-P-C4' energy: -56.863
flat angles P-C4'-P energy: -43.677
tors. eta vs tors. theta energy: -70.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -908.660172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.660172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.660172 (E_RNA)
where:
Base-Base interactions energy: -624.670
where: short stacking energy: -263.269
Base-Backbone interact. energy: -2.224
local terms energy: -281.766589
where:
bonds (distance) C4'-P energy: -53.688
bonds (distance) P-C4' energy: -51.522
flat angles C4'-P-C4' energy: -60.121
flat angles P-C4'-P energy: -39.570
tors. eta vs tors. theta energy: -76.865
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: 3, replica: 4
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -850.432846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.432846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.432846 (E_RNA)
where:
Base-Base interactions energy: -598.588
where: short stacking energy: -246.813
Base-Backbone interact. energy: -0.951
local terms energy: -250.894510
where:
bonds (distance) C4'-P energy: -46.589
bonds (distance) P-C4' energy: -43.096
flat angles C4'-P-C4' energy: -62.343
flat angles P-C4'-P energy: -31.323
tors. eta vs tors. theta energy: -67.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -841.335573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.335573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.335573 (E_RNA)
where:
Base-Base interactions energy: -592.727
where: short stacking energy: -256.167
Base-Backbone interact. energy: 0.688
local terms energy: -249.297031
where:
bonds (distance) C4'-P energy: -49.459
bonds (distance) P-C4' energy: -42.570
flat angles C4'-P-C4' energy: -53.979
flat angles P-C4'-P energy: -39.834
tors. eta vs tors. theta energy: -63.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -720.782251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.782251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.782251 (E_RNA)
where:
Base-Base interactions energy: -482.716
where: short stacking energy: -195.845
Base-Backbone interact. energy: 1.731
local terms energy: -239.797507
where:
bonds (distance) C4'-P energy: -51.656
bonds (distance) P-C4' energy: -54.304
flat angles C4'-P-C4' energy: -48.390
flat angles P-C4'-P energy: -28.271
tors. eta vs tors. theta energy: -57.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -688.883214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.883214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.883214 (E_RNA)
where:
Base-Base interactions energy: -472.238
where: short stacking energy: -205.399
Base-Backbone interact. energy: 0.006
local terms energy: -216.651482
where:
bonds (distance) C4'-P energy: -47.886
bonds (distance) P-C4' energy: -40.091
flat angles C4'-P-C4' energy: -44.281
flat angles P-C4'-P energy: -33.031
tors. eta vs tors. theta energy: -51.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -649.000087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.000087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.000087 (E_RNA)
where:
Base-Base interactions energy: -431.681
where: short stacking energy: -193.079
Base-Backbone interact. energy: 1.278
local terms energy: -218.596235
where:
bonds (distance) C4'-P energy: -55.615
bonds (distance) P-C4' energy: -33.393
flat angles C4'-P-C4' energy: -47.085
flat angles P-C4'-P energy: -30.098
tors. eta vs tors. theta energy: -52.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -582.526485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.526485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.526485 (E_RNA)
where:
Base-Base interactions energy: -377.022
where: short stacking energy: -161.075
Base-Backbone interact. energy: 0.241
local terms energy: -205.745172
where:
bonds (distance) C4'-P energy: -39.804
bonds (distance) P-C4' energy: -56.390
flat angles C4'-P-C4' energy: -51.274
flat angles P-C4'-P energy: -30.061
tors. eta vs tors. theta energy: -28.216
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: 9
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -237.358674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.358674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.358674 (E_RNA)
where:
Base-Base interactions energy: -73.308
where: short stacking energy: -63.841
Base-Backbone interact. energy: -0.633
local terms energy: -163.417320
where:
bonds (distance) C4'-P energy: -55.887
bonds (distance) P-C4' energy: -50.930
flat angles C4'-P-C4' energy: -38.090
flat angles P-C4'-P energy: -29.031
tors. eta vs tors. theta energy: 10.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -281.777746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.777746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.777746 (E_RNA)
where:
Base-Base interactions energy: -137.236
where: short stacking energy: -79.932
Base-Backbone interact. energy: -0.788
local terms energy: -143.753760
where:
bonds (distance) C4'-P energy: -44.545
bonds (distance) P-C4' energy: -49.039
flat angles C4'-P-C4' energy: -31.814
flat angles P-C4'-P energy: -13.719
tors. eta vs tors. theta energy: -4.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -927.179611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.179611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.179611 (E_RNA)
where:
Base-Base interactions energy: -633.914
where: short stacking energy: -253.792
Base-Backbone interact. energy: -1.493
local terms energy: -291.771967
where:
bonds (distance) C4'-P energy: -55.310
bonds (distance) P-C4' energy: -55.859
flat angles C4'-P-C4' energy: -64.490
flat angles P-C4'-P energy: -41.178
tors. eta vs tors. theta energy: -74.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -910.379298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.379298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.379298 (E_RNA)
where:
Base-Base interactions energy: -643.654
where: short stacking energy: -254.029
Base-Backbone interact. energy: -1.305
local terms energy: -265.420863
where:
bonds (distance) C4'-P energy: -46.583
bonds (distance) P-C4' energy: -47.772
flat angles C4'-P-C4' energy: -62.915
flat angles P-C4'-P energy: -42.565
tors. eta vs tors. theta energy: -65.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -848.051559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.051559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.051559 (E_RNA)
where:
Base-Base interactions energy: -585.522
where: short stacking energy: -247.864
Base-Backbone interact. energy: -0.973
local terms energy: -261.555958
where:
bonds (distance) C4'-P energy: -35.984
bonds (distance) P-C4' energy: -52.961
flat angles C4'-P-C4' energy: -59.393
flat angles P-C4'-P energy: -47.242
tors. eta vs tors. theta energy: -65.976
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: 4
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -856.996479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.996479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.996479 (E_RNA)
where:
Base-Base interactions energy: -596.325
where: short stacking energy: -247.797
Base-Backbone interact. energy: -2.296
local terms energy: -258.375690
where:
bonds (distance) C4'-P energy: -51.690
bonds (distance) P-C4' energy: -50.404
flat angles C4'-P-C4' energy: -53.806
flat angles P-C4'-P energy: -36.967
tors. eta vs tors. theta energy: -65.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -735.567184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.567184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.567184 (E_RNA)
where:
Base-Base interactions energy: -507.527
where: short stacking energy: -209.782
Base-Backbone interact. energy: 1.252
local terms energy: -229.292275
where:
bonds (distance) C4'-P energy: -45.397
bonds (distance) P-C4' energy: -58.243
flat angles C4'-P-C4' energy: -48.387
flat angles P-C4'-P energy: -27.631
tors. eta vs tors. theta energy: -49.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -682.940158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.940158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.940158 (E_RNA)
where:
Base-Base interactions energy: -453.650
where: short stacking energy: -190.772
Base-Backbone interact. energy: 0.203
local terms energy: -229.493608
where:
bonds (distance) C4'-P energy: -50.573
bonds (distance) P-C4' energy: -53.021
flat angles C4'-P-C4' energy: -44.460
flat angles P-C4'-P energy: -28.767
tors. eta vs tors. theta energy: -52.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -653.041393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.041393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.041393 (E_RNA)
where:
Base-Base interactions energy: -447.846
where: short stacking energy: -200.013
Base-Backbone interact. energy: -0.640
local terms energy: -204.555481
where:
bonds (distance) C4'-P energy: -40.192
bonds (distance) P-C4' energy: -47.631
flat angles C4'-P-C4' energy: -48.702
flat angles P-C4'-P energy: -19.996
tors. eta vs tors. theta energy: -48.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -598.770557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.770557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.770557 (E_RNA)
where:
Base-Base interactions energy: -384.483
where: short stacking energy: -170.166
Base-Backbone interact. energy: -0.288
local terms energy: -213.999619
where:
bonds (distance) C4'-P energy: -45.392
bonds (distance) P-C4' energy: -47.722
flat angles C4'-P-C4' energy: -42.809
flat angles P-C4'-P energy: -33.740
tors. eta vs tors. theta energy: -44.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -303.504323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.504323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.504323 (E_RNA)
where:
Base-Base interactions energy: -149.709
where: short stacking energy: -96.912
Base-Backbone interact. energy: -0.730
local terms energy: -153.066097
where:
bonds (distance) C4'-P energy: -41.364
bonds (distance) P-C4' energy: -38.617
flat angles C4'-P-C4' energy: -34.443
flat angles P-C4'-P energy: -30.497
tors. eta vs tors. theta energy: -8.144
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: 9
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -218.758100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.758100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.758100 (E_RNA)
where:
Base-Base interactions energy: -87.378
where: short stacking energy: -74.382
Base-Backbone interact. energy: -0.322
local terms energy: -131.058499
where:
bonds (distance) C4'-P energy: -44.946
bonds (distance) P-C4' energy: -49.071
flat angles C4'-P-C4' energy: -37.409
flat angles P-C4'-P energy: -9.780
tors. eta vs tors. theta energy: 10.147
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: 3
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -910.943948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.943948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.943948 (E_RNA)
where:
Base-Base interactions energy: -635.411
where: short stacking energy: -261.374
Base-Backbone interact. energy: -1.003
local terms energy: -274.530236
where:
bonds (distance) C4'-P energy: -53.887
bonds (distance) P-C4' energy: -53.344
flat angles C4'-P-C4' energy: -62.337
flat angles P-C4'-P energy: -30.623
tors. eta vs tors. theta energy: -74.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -898.390322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.390322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.390322 (E_RNA)
where:
Base-Base interactions energy: -629.904
where: short stacking energy: -260.204
Base-Backbone interact. energy: -2.655
local terms energy: -265.832177
where:
bonds (distance) C4'-P energy: -41.822
bonds (distance) P-C4' energy: -50.666
flat angles C4'-P-C4' energy: -57.730
flat angles P-C4'-P energy: -39.208
tors. eta vs tors. theta energy: -76.406
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: 3, replica: 5
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -856.289143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.289143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.289143 (E_RNA)
where:
Base-Base interactions energy: -594.868
where: short stacking energy: -257.985
Base-Backbone interact. energy: 0.015
local terms energy: -261.436765
where:
bonds (distance) C4'-P energy: -44.621
bonds (distance) P-C4' energy: -46.142
flat angles C4'-P-C4' energy: -59.766
flat angles P-C4'-P energy: -42.586
tors. eta vs tors. theta energy: -68.322
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: 4
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -815.777709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.777709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.777709 (E_RNA)
where:
Base-Base interactions energy: -563.545
where: short stacking energy: -228.571
Base-Backbone interact. energy: -1.776
local terms energy: -250.456208
where:
bonds (distance) C4'-P energy: -45.700
bonds (distance) P-C4' energy: -50.796
flat angles C4'-P-C4' energy: -51.570
flat angles P-C4'-P energy: -43.168
tors. eta vs tors. theta energy: -59.224
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: 5, replica: 2
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -738.197704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.197704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.197704 (E_RNA)
where:
Base-Base interactions energy: -517.685
where: short stacking energy: -221.480
Base-Backbone interact. energy: 0.958
local terms energy: -221.470545
where:
bonds (distance) C4'-P energy: -39.948
bonds (distance) P-C4' energy: -50.898
flat angles C4'-P-C4' energy: -49.605
flat angles P-C4'-P energy: -28.963
tors. eta vs tors. theta energy: -52.056
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: 6, replica: 6
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -688.796306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.796306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.796306 (E_RNA)
where:
Base-Base interactions energy: -466.961
where: short stacking energy: -209.533
Base-Backbone interact. energy: -1.685
local terms energy: -220.150057
where:
bonds (distance) C4'-P energy: -44.895
bonds (distance) P-C4' energy: -38.844
flat angles C4'-P-C4' energy: -54.786
flat angles P-C4'-P energy: -33.382
tors. eta vs tors. theta energy: -48.242
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: 8
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -634.918240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.918240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.918240 (E_RNA)
where:
Base-Base interactions energy: -402.557
where: short stacking energy: -181.297
Base-Backbone interact. energy: -1.013
local terms energy: -231.348149
where:
bonds (distance) C4'-P energy: -42.148
bonds (distance) P-C4' energy: -54.411
flat angles C4'-P-C4' energy: -54.283
flat angles P-C4'-P energy: -35.185
tors. eta vs tors. theta energy: -45.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -577.102368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.102368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.102368 (E_RNA)
where:
Base-Base interactions energy: -372.288
where: short stacking energy: -166.279
Base-Backbone interact. energy: -0.842
local terms energy: -203.971709
where:
bonds (distance) C4'-P energy: -49.071
bonds (distance) P-C4' energy: -42.452
flat angles C4'-P-C4' energy: -49.971
flat angles P-C4'-P energy: -28.049
tors. eta vs tors. theta energy: -34.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -340.931658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.931658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.931658 (E_RNA)
where:
Base-Base interactions energy: -161.962
where: short stacking energy: -95.621
Base-Backbone interact. energy: -0.648
local terms energy: -178.322436
where:
bonds (distance) C4'-P energy: -47.913
bonds (distance) P-C4' energy: -45.134
flat angles C4'-P-C4' energy: -41.277
flat angles P-C4'-P energy: -36.781
tors. eta vs tors. theta energy: -7.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -227.847612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.847612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.847612 (E_RNA)
where:
Base-Base interactions energy: -82.564
where: short stacking energy: -57.562
Base-Backbone interact. energy: -1.187
local terms energy: -144.097204
where:
bonds (distance) C4'-P energy: -48.387
bonds (distance) P-C4' energy: -41.979
flat angles C4'-P-C4' energy: -26.090
flat angles P-C4'-P energy: -26.371
tors. eta vs tors. theta energy: -1.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -930.846752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.846752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.846752 (E_RNA)
where:
Base-Base interactions energy: -646.664
where: short stacking energy: -264.720
Base-Backbone interact. energy: -1.653
local terms energy: -282.530001
where:
bonds (distance) C4'-P energy: -53.397
bonds (distance) P-C4' energy: -59.418
flat angles C4'-P-C4' energy: -58.670
flat angles P-C4'-P energy: -41.297
tors. eta vs tors. theta energy: -69.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -894.000704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.000704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.000704 (E_RNA)
where:
Base-Base interactions energy: -608.670
where: short stacking energy: -264.898
Base-Backbone interact. energy: -2.257
local terms energy: -283.073442
where:
bonds (distance) C4'-P energy: -53.139
bonds (distance) P-C4' energy: -53.047
flat angles C4'-P-C4' energy: -58.446
flat angles P-C4'-P energy: -42.200
tors. eta vs tors. theta energy: -76.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -843.969131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.969131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.969131 (E_RNA)
where:
Base-Base interactions energy: -583.804
where: short stacking energy: -235.333
Base-Backbone interact. energy: -1.552
local terms energy: -258.613406
where:
bonds (distance) C4'-P energy: -47.939
bonds (distance) P-C4' energy: -50.588
flat angles C4'-P-C4' energy: -51.698
flat angles P-C4'-P energy: -42.353
tors. eta vs tors. theta energy: -66.035
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: 4
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -824.429174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.429174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.429174 (E_RNA)
where:
Base-Base interactions energy: -568.954
where: short stacking energy: -244.046
Base-Backbone interact. energy: 0.134
local terms energy: -255.609234
where:
bonds (distance) C4'-P energy: -53.657
bonds (distance) P-C4' energy: -39.054
flat angles C4'-P-C4' energy: -55.627
flat angles P-C4'-P energy: -39.953
tors. eta vs tors. theta energy: -67.319
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: 6
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -725.817228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.817228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.817228 (E_RNA)
where:
Base-Base interactions energy: -480.092
where: short stacking energy: -228.950
Base-Backbone interact. energy: -2.565
local terms energy: -243.159672
where:
bonds (distance) C4'-P energy: -42.364
bonds (distance) P-C4' energy: -58.471
flat angles C4'-P-C4' energy: -47.086
flat angles P-C4'-P energy: -29.254
tors. eta vs tors. theta energy: -65.985
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: 2
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -727.544676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.544676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.544676 (E_RNA)
where:
Base-Base interactions energy: -487.134
where: short stacking energy: -202.096
Base-Backbone interact. energy: 3.274
local terms energy: -243.684864
where:
bonds (distance) C4'-P energy: -47.188
bonds (distance) P-C4' energy: -50.419
flat angles C4'-P-C4' energy: -56.831
flat angles P-C4'-P energy: -33.100
tors. eta vs tors. theta energy: -56.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -613.748771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.748771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.748771 (E_RNA)
where:
Base-Base interactions energy: -410.547
where: short stacking energy: -181.724
Base-Backbone interact. energy: -0.688
local terms energy: -202.514100
where:
bonds (distance) C4'-P energy: -40.149
bonds (distance) P-C4' energy: -42.575
flat angles C4'-P-C4' energy: -56.535
flat angles P-C4'-P energy: -22.112
tors. eta vs tors. theta energy: -41.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -559.676397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.676397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.676397 (E_RNA)
where:
Base-Base interactions energy: -365.932
where: short stacking energy: -164.791
Base-Backbone interact. energy: 0.666
local terms energy: -194.409871
where:
bonds (distance) C4'-P energy: -38.463
bonds (distance) P-C4' energy: -48.969
flat angles C4'-P-C4' energy: -43.508
flat angles P-C4'-P energy: -26.991
tors. eta vs tors. theta energy: -36.478
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: 9, replica: 10
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -387.292034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.292034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.292034 (E_RNA)
where:
Base-Base interactions energy: -224.922
where: short stacking energy: -112.868
Base-Backbone interact. energy: -0.359
local terms energy: -162.011317
where:
bonds (distance) C4'-P energy: -36.930
bonds (distance) P-C4' energy: -44.963
flat angles C4'-P-C4' energy: -41.514
flat angles P-C4'-P energy: -28.699
tors. eta vs tors. theta energy: -9.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -238.489214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.489214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.489214 (E_RNA)
where:
Base-Base interactions energy: -95.811
where: short stacking energy: -66.305
Base-Backbone interact. energy: 3.490
local terms energy: -146.169160
where:
bonds (distance) C4'-P energy: -33.930
bonds (distance) P-C4' energy: -55.413
flat angles C4'-P-C4' energy: -40.572
flat angles P-C4'-P energy: -20.035
tors. eta vs tors. theta energy: 3.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -907.526720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.526720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.526720 (E_RNA)
where:
Base-Base interactions energy: -632.774
where: short stacking energy: -263.499
Base-Backbone interact. energy: -0.628
local terms energy: -274.125279
where:
bonds (distance) C4'-P energy: -49.453
bonds (distance) P-C4' energy: -51.316
flat angles C4'-P-C4' energy: -59.736
flat angles P-C4'-P energy: -39.099
tors. eta vs tors. theta energy: -74.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -892.450184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.450184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.450184 (E_RNA)
where:
Base-Base interactions energy: -620.366
where: short stacking energy: -270.482
Base-Backbone interact. energy: -0.142
local terms energy: -271.942428
where:
bonds (distance) C4'-P energy: -48.254
bonds (distance) P-C4' energy: -51.852
flat angles C4'-P-C4' energy: -55.257
flat angles P-C4'-P energy: -39.648
tors. eta vs tors. theta energy: -76.932
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: 5
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -857.884491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.884491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.884491 (E_RNA)
where:
Base-Base interactions energy: -598.944
where: short stacking energy: -240.014
Base-Backbone interact. energy: -0.491
local terms energy: -258.449134
where:
bonds (distance) C4'-P energy: -49.147
bonds (distance) P-C4' energy: -45.986
flat angles C4'-P-C4' energy: -55.927
flat angles P-C4'-P energy: -42.265
tors. eta vs tors. theta energy: -65.124
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: 207
Temperature: 1.050000
Total energy: -815.904227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.904227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.904227 (E_RNA)
where:
Base-Base interactions energy: -561.596
where: short stacking energy: -242.391
Base-Backbone interact. energy: 0.770
local terms energy: -255.077370
where:
bonds (distance) C4'-P energy: -55.624
bonds (distance) P-C4' energy: -50.288
flat angles C4'-P-C4' energy: -52.996
flat angles P-C4'-P energy: -26.287
tors. eta vs tors. theta energy: -69.883
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: 5, replica: 6
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -697.109146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.109146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.109146 (E_RNA)
where:
Base-Base interactions energy: -463.493
where: short stacking energy: -227.785
Base-Backbone interact. energy: 0.472
local terms energy: -234.088286
where:
bonds (distance) C4'-P energy: -41.757
bonds (distance) P-C4' energy: -48.284
flat angles C4'-P-C4' energy: -55.533
flat angles P-C4'-P energy: -33.487
tors. eta vs tors. theta energy: -55.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -692.426182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.426182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.426182 (E_RNA)
where:
Base-Base interactions energy: -485.314
where: short stacking energy: -224.710
Base-Backbone interact. energy: -1.335
local terms energy: -205.777021
where:
bonds (distance) C4'-P energy: -38.135
bonds (distance) P-C4' energy: -38.506
flat angles C4'-P-C4' energy: -41.562
flat angles P-C4'-P energy: -37.833
tors. eta vs tors. theta energy: -49.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -584.978557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.978557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.978557 (E_RNA)
where:
Base-Base interactions energy: -363.635
where: short stacking energy: -177.641
Base-Backbone interact. energy: 1.718
local terms energy: -223.061653
where:
bonds (distance) C4'-P energy: -45.954
bonds (distance) P-C4' energy: -52.268
flat angles C4'-P-C4' energy: -52.447
flat angles P-C4'-P energy: -32.359
tors. eta vs tors. theta energy: -40.034
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: 7
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -582.676975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.676975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.676975 (E_RNA)
where:
Base-Base interactions energy: -392.210
where: short stacking energy: -183.311
Base-Backbone interact. energy: -0.543
local terms energy: -189.923976
where:
bonds (distance) C4'-P energy: -39.540
bonds (distance) P-C4' energy: -36.262
flat angles C4'-P-C4' energy: -40.426
flat angles P-C4'-P energy: -33.658
tors. eta vs tors. theta energy: -40.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -363.595848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.595848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.595848 (E_RNA)
where:
Base-Base interactions energy: -212.921
where: short stacking energy: -114.371
Base-Backbone interact. energy: 0.986
local terms energy: -151.659967
where:
bonds (distance) C4'-P energy: -38.218
bonds (distance) P-C4' energy: -37.657
flat angles C4'-P-C4' energy: -44.883
flat angles P-C4'-P energy: -26.162
tors. eta vs tors. theta energy: -4.739
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: 9
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -233.934034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.934034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.934034 (E_RNA)
where:
Base-Base interactions energy: -92.698
where: short stacking energy: -67.384
Base-Backbone interact. energy: 1.453
local terms energy: -142.688604
where:
bonds (distance) C4'-P energy: -39.500
bonds (distance) P-C4' energy: -47.202
flat angles C4'-P-C4' energy: -29.671
flat angles P-C4'-P energy: -33.530
tors. eta vs tors. theta energy: 7.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -899.230545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.230545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.230545 (E_RNA)
where:
Base-Base interactions energy: -614.369
where: short stacking energy: -265.425
Base-Backbone interact. energy: -1.598
local terms energy: -283.263515
where:
bonds (distance) C4'-P energy: -53.095
bonds (distance) P-C4' energy: -49.584
flat angles C4'-P-C4' energy: -66.286
flat angles P-C4'-P energy: -43.294
tors. eta vs tors. theta energy: -71.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -913.403669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.403669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.403669 (E_RNA)
where:
Base-Base interactions energy: -634.818
where: short stacking energy: -277.520
Base-Backbone interact. energy: -1.575
local terms energy: -277.010687
where:
bonds (distance) C4'-P energy: -58.534
bonds (distance) P-C4' energy: -54.984
flat angles C4'-P-C4' energy: -58.914
flat angles P-C4'-P energy: -32.591
tors. eta vs tors. theta energy: -71.987
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: 4
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -845.221672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.221672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.221672 (E_RNA)
where:
Base-Base interactions energy: -580.684
where: short stacking energy: -251.179
Base-Backbone interact. energy: -1.167
local terms energy: -263.370561
where:
bonds (distance) C4'-P energy: -55.184
bonds (distance) P-C4' energy: -53.362
flat angles C4'-P-C4' energy: -57.685
flat angles P-C4'-P energy: -33.999
tors. eta vs tors. theta energy: -63.139
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: 4, replica: 5
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -849.326873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.326873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.326873 (E_RNA)
where:
Base-Base interactions energy: -593.628
where: short stacking energy: -251.768
Base-Backbone interact. energy: -3.336
local terms energy: -252.363150
where:
bonds (distance) C4'-P energy: -47.522
bonds (distance) P-C4' energy: -44.861
flat angles C4'-P-C4' energy: -59.714
flat angles P-C4'-P energy: -31.751
tors. eta vs tors. theta energy: -68.516
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: 2
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -731.451400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.451400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.451400 (E_RNA)
where:
Base-Base interactions energy: -496.783
where: short stacking energy: -229.046
Base-Backbone interact. energy: -1.800
local terms energy: -232.868654
where:
bonds (distance) C4'-P energy: -40.102
bonds (distance) P-C4' energy: -48.383
flat angles C4'-P-C4' energy: -48.524
flat angles P-C4'-P energy: -41.467
tors. eta vs tors. theta energy: -54.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -656.063644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.063644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.063644 (E_RNA)
where:
Base-Base interactions energy: -439.150
where: short stacking energy: -192.482
Base-Backbone interact. energy: -0.135
local terms energy: -216.778891
where:
bonds (distance) C4'-P energy: -47.228
bonds (distance) P-C4' energy: -41.088
flat angles C4'-P-C4' energy: -47.128
flat angles P-C4'-P energy: -29.819
tors. eta vs tors. theta energy: -51.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -607.957957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.957957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.957957 (E_RNA)
where:
Base-Base interactions energy: -404.028
where: short stacking energy: -179.857
Base-Backbone interact. energy: -0.586
local terms energy: -203.344174
where:
bonds (distance) C4'-P energy: -34.623
bonds (distance) P-C4' energy: -37.204
flat angles C4'-P-C4' energy: -50.655
flat angles P-C4'-P energy: -38.887
tors. eta vs tors. theta energy: -41.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -582.401406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.401406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.401406 (E_RNA)
where:
Base-Base interactions energy: -389.224
where: short stacking energy: -171.745
Base-Backbone interact. energy: 1.497
local terms energy: -194.675105
where:
bonds (distance) C4'-P energy: -41.799
bonds (distance) P-C4' energy: -40.718
flat angles C4'-P-C4' energy: -53.555
flat angles P-C4'-P energy: -23.832
tors. eta vs tors. theta energy: -34.772
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: 10
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -391.884711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.884711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.884711 (E_RNA)
where:
Base-Base interactions energy: -215.568
where: short stacking energy: -99.196
Base-Backbone interact. energy: 2.601
local terms energy: -178.918202
where:
bonds (distance) C4'-P energy: -47.374
bonds (distance) P-C4' energy: -40.907
flat angles C4'-P-C4' energy: -50.543
flat angles P-C4'-P energy: -36.445
tors. eta vs tors. theta energy: -3.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -217.520424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.520424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.520424 (E_RNA)
where:
Base-Base interactions energy: -74.479
where: short stacking energy: -53.038
Base-Backbone interact. energy: -0.098
local terms energy: -142.944183
where:
bonds (distance) C4'-P energy: -41.768
bonds (distance) P-C4' energy: -51.841
flat angles C4'-P-C4' energy: -35.337
flat angles P-C4'-P energy: -24.105
tors. eta vs tors. theta energy: 10.107
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: 3
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -906.985295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.985295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.985295 (E_RNA)
where:
Base-Base interactions energy: -618.458
where: short stacking energy: -270.417
Base-Backbone interact. energy: -1.525
local terms energy: -287.002525
where:
bonds (distance) C4'-P energy: -54.593
bonds (distance) P-C4' energy: -57.196
flat angles C4'-P-C4' energy: -62.695
flat angles P-C4'-P energy: -37.176
tors. eta vs tors. theta energy: -75.343
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: 2, replica: 1
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -905.670480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.670480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.670480 (E_RNA)
where:
Base-Base interactions energy: -649.717
where: short stacking energy: -255.360
Base-Backbone interact. energy: -1.774
local terms energy: -254.180063
where:
bonds (distance) C4'-P energy: -44.711
bonds (distance) P-C4' energy: -50.964
flat angles C4'-P-C4' energy: -53.706
flat angles P-C4'-P energy: -33.232
tors. eta vs tors. theta energy: -71.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -864.908244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.908244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.908244 (E_RNA)
where:
Base-Base interactions energy: -623.517
where: short stacking energy: -254.838
Base-Backbone interact. energy: 1.193
local terms energy: -242.584390
where:
bonds (distance) C4'-P energy: -40.640
bonds (distance) P-C4' energy: -42.784
flat angles C4'-P-C4' energy: -60.405
flat angles P-C4'-P energy: -33.602
tors. eta vs tors. theta energy: -65.153
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: 4, replica: 2
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -790.190572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.190572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.190572 (E_RNA)
where:
Base-Base interactions energy: -533.332
where: short stacking energy: -227.137
Base-Backbone interact. energy: -0.753
local terms energy: -256.105758
where:
bonds (distance) C4'-P energy: -49.097
bonds (distance) P-C4' energy: -53.769
flat angles C4'-P-C4' energy: -57.273
flat angles P-C4'-P energy: -41.646
tors. eta vs tors. theta energy: -54.322
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: 209
Temperature: 1.100000
Total energy: -796.764630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.764630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.764630 (E_RNA)
where:
Base-Base interactions energy: -552.678
where: short stacking energy: -226.518
Base-Backbone interact. energy: 1.401
local terms energy: -245.487665
where:
bonds (distance) C4'-P energy: -37.031
bonds (distance) P-C4' energy: -53.814
flat angles C4'-P-C4' energy: -54.735
flat angles P-C4'-P energy: -45.529
tors. eta vs tors. theta energy: -54.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -641.019097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.019097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.019097 (E_RNA)
where:
Base-Base interactions energy: -408.648
where: short stacking energy: -175.885
Base-Backbone interact. energy: -0.776
local terms energy: -231.594702
where:
bonds (distance) C4'-P energy: -49.831
bonds (distance) P-C4' energy: -51.876
flat angles C4'-P-C4' energy: -54.504
flat angles P-C4'-P energy: -33.112
tors. eta vs tors. theta energy: -42.273
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: 209
Temperature: 1.200000
Total energy: -625.137695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.137695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.137695 (E_RNA)
where:
Base-Base interactions energy: -414.619
where: short stacking energy: -179.002
Base-Backbone interact. energy: -0.532
local terms energy: -209.986728
where:
bonds (distance) C4'-P energy: -49.448
bonds (distance) P-C4' energy: -41.733
flat angles C4'-P-C4' energy: -41.712
flat angles P-C4'-P energy: -34.254
tors. eta vs tors. theta energy: -42.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -583.212750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.212750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.212750 (E_RNA)
where:
Base-Base interactions energy: -359.400
where: short stacking energy: -162.481
Base-Backbone interact. energy: -2.261
local terms energy: -221.551334
where:
bonds (distance) C4'-P energy: -52.844
bonds (distance) P-C4' energy: -51.711
flat angles C4'-P-C4' energy: -47.309
flat angles P-C4'-P energy: -33.449
tors. eta vs tors. theta energy: -36.238
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: 10
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -397.651689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.651689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.651689 (E_RNA)
where:
Base-Base interactions energy: -215.317
where: short stacking energy: -113.977
Base-Backbone interact. energy: -0.717
local terms energy: -181.617778
where:
bonds (distance) C4'-P energy: -50.808
bonds (distance) P-C4' energy: -54.684
flat angles C4'-P-C4' energy: -40.851
flat angles P-C4'-P energy: -18.601
tors. eta vs tors. theta energy: -16.674
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: 10, replica: 9
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -226.015473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.015473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.015473 (E_RNA)
where:
Base-Base interactions energy: -58.400
where: short stacking energy: -42.673
Base-Backbone interact. energy: 1.428
local terms energy: -169.043631
where:
bonds (distance) C4'-P energy: -48.806
bonds (distance) P-C4' energy: -47.210
flat angles C4'-P-C4' energy: -39.880
flat angles P-C4'-P energy: -31.738
tors. eta vs tors. theta energy: -1.410
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: 3
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -899.347370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.347370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.347370 (E_RNA)
where:
Base-Base interactions energy: -619.197
where: short stacking energy: -267.202
Base-Backbone interact. energy: -2.054
local terms energy: -278.095933
where:
bonds (distance) C4'-P energy: -47.016
bonds (distance) P-C4' energy: -51.574
flat angles C4'-P-C4' energy: -54.947
flat angles P-C4'-P energy: -46.920
tors. eta vs tors. theta energy: -77.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -883.464731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.464731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.464731 (E_RNA)
where:
Base-Base interactions energy: -609.891
where: short stacking energy: -256.784
Base-Backbone interact. energy: -1.786
local terms energy: -271.786843
where:
bonds (distance) C4'-P energy: -57.516
bonds (distance) P-C4' energy: -44.512
flat angles C4'-P-C4' energy: -55.992
flat angles P-C4'-P energy: -40.033
tors. eta vs tors. theta energy: -73.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -848.798194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.798194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.798194 (E_RNA)
where:
Base-Base interactions energy: -590.079
where: short stacking energy: -240.366
Base-Backbone interact. energy: 4.449
local terms energy: -263.168017
where:
bonds (distance) C4'-P energy: -48.310
bonds (distance) P-C4' energy: -43.229
flat angles C4'-P-C4' energy: -60.013
flat angles P-C4'-P energy: -39.857
tors. eta vs tors. theta energy: -71.759
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: 2
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -772.744313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.744313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.744313 (E_RNA)
where:
Base-Base interactions energy: -526.142
where: short stacking energy: -228.366
Base-Backbone interact. energy: 0.118
local terms energy: -246.720255
where:
bonds (distance) C4'-P energy: -47.882
bonds (distance) P-C4' energy: -55.504
flat angles C4'-P-C4' energy: -52.954
flat angles P-C4'-P energy: -34.319
tors. eta vs tors. theta energy: -56.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -840.970047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.970047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.970047 (E_RNA)
where:
Base-Base interactions energy: -579.693
where: short stacking energy: -228.376
Base-Backbone interact. energy: -1.909
local terms energy: -259.367794
where:
bonds (distance) C4'-P energy: -48.852
bonds (distance) P-C4' energy: -55.598
flat angles C4'-P-C4' energy: -50.987
flat angles P-C4'-P energy: -36.424
tors. eta vs tors. theta energy: -67.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -637.638372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.638372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.638372 (E_RNA)
where:
Base-Base interactions energy: -402.994
where: short stacking energy: -207.896
Base-Backbone interact. energy: -0.367
local terms energy: -234.277273
where:
bonds (distance) C4'-P energy: -43.528
bonds (distance) P-C4' energy: -43.709
flat angles C4'-P-C4' energy: -51.982
flat angles P-C4'-P energy: -38.373
tors. eta vs tors. theta energy: -56.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -612.951698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.951698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.951698 (E_RNA)
where:
Base-Base interactions energy: -402.327
where: short stacking energy: -168.877
Base-Backbone interact. energy: -2.224
local terms energy: -208.400129
where:
bonds (distance) C4'-P energy: -44.531
bonds (distance) P-C4' energy: -42.061
flat angles C4'-P-C4' energy: -50.977
flat angles P-C4'-P energy: -33.987
tors. eta vs tors. theta energy: -36.844
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: 8
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -568.775435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.775435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.775435 (E_RNA)
where:
Base-Base interactions energy: -364.086
where: short stacking energy: -165.321
Base-Backbone interact. energy: -0.835
local terms energy: -203.854649
where:
bonds (distance) C4'-P energy: -44.009
bonds (distance) P-C4' energy: -36.550
flat angles C4'-P-C4' energy: -54.621
flat angles P-C4'-P energy: -28.967
tors. eta vs tors. theta energy: -39.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -430.489806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.489806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.489806 (E_RNA)
where:
Base-Base interactions energy: -266.045
where: short stacking energy: -131.524
Base-Backbone interact. energy: -0.380
local terms energy: -164.065088
where:
bonds (distance) C4'-P energy: -44.902
bonds (distance) P-C4' energy: -45.032
flat angles C4'-P-C4' energy: -25.352
flat angles P-C4'-P energy: -23.981
tors. eta vs tors. theta energy: -24.798
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: 9
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -235.881175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.881175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.881175 (E_RNA)
where:
Base-Base interactions energy: -89.523
where: short stacking energy: -77.361
Base-Backbone interact. energy: -0.058
local terms energy: -146.299910
where:
bonds (distance) C4'-P energy: -43.180
bonds (distance) P-C4' energy: -47.106
flat angles C4'-P-C4' energy: -42.258
flat angles P-C4'-P energy: -26.517
tors. eta vs tors. theta energy: 12.762
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: 1, replica: 3
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -903.992840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.992840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.992840 (E_RNA)
where:
Base-Base interactions energy: -613.506
where: short stacking energy: -267.816
Base-Backbone interact. energy: -0.372
local terms energy: -290.114248
where:
bonds (distance) C4'-P energy: -54.993
bonds (distance) P-C4' energy: -55.914
flat angles C4'-P-C4' energy: -60.954
flat angles P-C4'-P energy: -42.797
tors. eta vs tors. theta energy: -75.457
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: 2, replica: 1
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -893.716516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.716516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.716516 (E_RNA)
where:
Base-Base interactions energy: -636.562
where: short stacking energy: -261.445
Base-Backbone interact. energy: -0.566
local terms energy: -256.587948
where:
bonds (distance) C4'-P energy: -47.370
bonds (distance) P-C4' energy: -46.589
flat angles C4'-P-C4' energy: -56.126
flat angles P-C4'-P energy: -34.003
tors. eta vs tors. theta energy: -72.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -877.003315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.003315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.003315 (E_RNA)
where:
Base-Base interactions energy: -615.782
where: short stacking energy: -262.304
Base-Backbone interact. energy: 2.066
local terms energy: -263.287542
where:
bonds (distance) C4'-P energy: -50.716
bonds (distance) P-C4' energy: -51.060
flat angles C4'-P-C4' energy: -56.951
flat angles P-C4'-P energy: -34.983
tors. eta vs tors. theta energy: -69.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -837.674492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.674492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.674492 (E_RNA)
where:
Base-Base interactions energy: -589.481
where: short stacking energy: -234.825
Base-Backbone interact. energy: -1.422
local terms energy: -246.771662
where:
bonds (distance) C4'-P energy: -47.112
bonds (distance) P-C4' energy: -56.770
flat angles C4'-P-C4' energy: -49.320
flat angles P-C4'-P energy: -34.857
tors. eta vs tors. theta energy: -58.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -774.731983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.731983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.731983 (E_RNA)
where:
Base-Base interactions energy: -514.565
where: short stacking energy: -224.218
Base-Backbone interact. energy: -1.813
local terms energy: -258.354659
where:
bonds (distance) C4'-P energy: -50.511
bonds (distance) P-C4' energy: -47.318
flat angles C4'-P-C4' energy: -60.747
flat angles P-C4'-P energy: -37.387
tors. eta vs tors. theta energy: -62.391
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: 6
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -663.047582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.047582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.047582 (E_RNA)
where:
Base-Base interactions energy: -439.014
where: short stacking energy: -191.492
Base-Backbone interact. energy: -0.028
local terms energy: -224.005182
where:
bonds (distance) C4'-P energy: -43.959
bonds (distance) P-C4' energy: -46.769
flat angles C4'-P-C4' energy: -52.047
flat angles P-C4'-P energy: -33.045
tors. eta vs tors. theta energy: -48.184
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: 211
Temperature: 1.200000
Total energy: -587.573192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.573192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.573192 (E_RNA)
where:
Base-Base interactions energy: -357.917
where: short stacking energy: -180.729
Base-Backbone interact. energy: -1.435
local terms energy: -228.220535
where:
bonds (distance) C4'-P energy: -43.049
bonds (distance) P-C4' energy: -51.411
flat angles C4'-P-C4' energy: -51.593
flat angles P-C4'-P energy: -34.365
tors. eta vs tors. theta energy: -47.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -587.501698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.501698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.501698 (E_RNA)
where:
Base-Base interactions energy: -380.283
where: short stacking energy: -175.686
Base-Backbone interact. energy: -1.186
local terms energy: -206.033135
where:
bonds (distance) C4'-P energy: -42.263
bonds (distance) P-C4' energy: -50.860
flat angles C4'-P-C4' energy: -44.933
flat angles P-C4'-P energy: -27.951
tors. eta vs tors. theta energy: -40.026
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: 10
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -389.457510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.457510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.457510 (E_RNA)
where:
Base-Base interactions energy: -220.579
where: short stacking energy: -110.575
Base-Backbone interact. energy: -1.447
local terms energy: -167.431389
where:
bonds (distance) C4'-P energy: -36.788
bonds (distance) P-C4' energy: -46.885
flat angles C4'-P-C4' energy: -45.850
flat angles P-C4'-P energy: -23.926
tors. eta vs tors. theta energy: -13.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -246.020814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.020814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.020814 (E_RNA)
where:
Base-Base interactions energy: -83.605
where: short stacking energy: -76.394
Base-Backbone interact. energy: 0.275
local terms energy: -162.690112
where:
bonds (distance) C4'-P energy: -51.857
bonds (distance) P-C4' energy: -43.396
flat angles C4'-P-C4' energy: -38.955
flat angles P-C4'-P energy: -19.775
tors. eta vs tors. theta energy: -8.708
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: 3
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -909.796163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.796163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.796163 (E_RNA)
where:
Base-Base interactions energy: -638.141
where: short stacking energy: -279.195
Base-Backbone interact. energy: -0.979
local terms energy: -270.676739
where:
bonds (distance) C4'-P energy: -47.193
bonds (distance) P-C4' energy: -55.233
flat angles C4'-P-C4' energy: -56.587
flat angles P-C4'-P energy: -41.130
tors. eta vs tors. theta energy: -70.534
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: 1
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -881.279881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.279881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.279881 (E_RNA)
where:
Base-Base interactions energy: -624.149
where: short stacking energy: -242.592
Base-Backbone interact. energy: 0.531
local terms energy: -257.661659
where:
bonds (distance) C4'-P energy: -49.726
bonds (distance) P-C4' energy: -51.660
flat angles C4'-P-C4' energy: -54.429
flat angles P-C4'-P energy: -34.910
tors. eta vs tors. theta energy: -66.938
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: 3, replica: 4
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -847.149380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.149380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.149380 (E_RNA)
where:
Base-Base interactions energy: -585.442
where: short stacking energy: -259.471
Base-Backbone interact. energy: 1.366
local terms energy: -263.073955
where:
bonds (distance) C4'-P energy: -47.977
bonds (distance) P-C4' energy: -50.453
flat angles C4'-P-C4' energy: -53.094
flat angles P-C4'-P energy: -39.016
tors. eta vs tors. theta energy: -72.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -848.452762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.452762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.452762 (E_RNA)
where:
Base-Base interactions energy: -586.376
where: short stacking energy: -251.747
Base-Backbone interact. energy: -1.482
local terms energy: -260.594966
where:
bonds (distance) C4'-P energy: -48.976
bonds (distance) P-C4' energy: -45.634
flat angles C4'-P-C4' energy: -57.323
flat angles P-C4'-P energy: -36.539
tors. eta vs tors. theta energy: -72.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -743.008481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.008481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.008481 (E_RNA)
where:
Base-Base interactions energy: -512.046
where: short stacking energy: -224.805
Base-Backbone interact. energy: -0.193
local terms energy: -230.769108
where:
bonds (distance) C4'-P energy: -46.929
bonds (distance) P-C4' energy: -45.694
flat angles C4'-P-C4' energy: -54.704
flat angles P-C4'-P energy: -32.524
tors. eta vs tors. theta energy: -50.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -652.122542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.122542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.122542 (E_RNA)
where:
Base-Base interactions energy: -423.976
where: short stacking energy: -188.116
Base-Backbone interact. energy: -1.182
local terms energy: -226.964654
where:
bonds (distance) C4'-P energy: -48.861
bonds (distance) P-C4' energy: -57.224
flat angles C4'-P-C4' energy: -43.077
flat angles P-C4'-P energy: -27.565
tors. eta vs tors. theta energy: -50.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -609.194294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.194294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.194294 (E_RNA)
where:
Base-Base interactions energy: -405.406
where: short stacking energy: -197.832
Base-Backbone interact. energy: -1.233
local terms energy: -202.554921
where:
bonds (distance) C4'-P energy: -26.660
bonds (distance) P-C4' energy: -43.768
flat angles C4'-P-C4' energy: -46.269
flat angles P-C4'-P energy: -37.642
tors. eta vs tors. theta energy: -48.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -520.163384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.163384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.163384 (E_RNA)
where:
Base-Base interactions energy: -312.660
where: short stacking energy: -165.770
Base-Backbone interact. energy: -1.183
local terms energy: -206.320883
where:
bonds (distance) C4'-P energy: -48.393
bonds (distance) P-C4' energy: -48.168
flat angles C4'-P-C4' energy: -51.289
flat angles P-C4'-P energy: -25.934
tors. eta vs tors. theta energy: -32.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -405.348836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.348836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.348836 (E_RNA)
where:
Base-Base interactions energy: -238.830
where: short stacking energy: -112.204
Base-Backbone interact. energy: 0.767
local terms energy: -167.286021
where:
bonds (distance) C4'-P energy: -46.269
bonds (distance) P-C4' energy: -46.480
flat angles C4'-P-C4' energy: -37.897
flat angles P-C4'-P energy: -20.624
tors. eta vs tors. theta energy: -16.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -226.714051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.714051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.714051 (E_RNA)
where:
Base-Base interactions energy: -77.081
where: short stacking energy: -59.374
Base-Backbone interact. energy: -1.001
local terms energy: -148.631632
where:
bonds (distance) C4'-P energy: -38.069
bonds (distance) P-C4' energy: -44.480
flat angles C4'-P-C4' energy: -32.914
flat angles P-C4'-P energy: -32.428
tors. eta vs tors. theta energy: -0.740
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: 3
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -896.013777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.013777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.013777 (E_RNA)
where:
Base-Base interactions energy: -603.051
where: short stacking energy: -272.708
Base-Backbone interact. energy: -1.535
local terms energy: -291.427708
where:
bonds (distance) C4'-P energy: -55.262
bonds (distance) P-C4' energy: -49.013
flat angles C4'-P-C4' energy: -65.219
flat angles P-C4'-P energy: -42.865
tors. eta vs tors. theta energy: -79.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -888.530394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.530394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.530394 (E_RNA)
where:
Base-Base interactions energy: -626.546
where: short stacking energy: -268.675
Base-Backbone interact. energy: -0.766
local terms energy: -261.218310
where:
bonds (distance) C4'-P energy: -49.864
bonds (distance) P-C4' energy: -51.629
flat angles C4'-P-C4' energy: -47.599
flat angles P-C4'-P energy: -39.005
tors. eta vs tors. theta energy: -73.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -878.121154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.121154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.121154 (E_RNA)
where:
Base-Base interactions energy: -618.114
where: short stacking energy: -264.114
Base-Backbone interact. energy: -0.023
local terms energy: -259.984184
where:
bonds (distance) C4'-P energy: -51.260
bonds (distance) P-C4' energy: -40.015
flat angles C4'-P-C4' energy: -58.420
flat angles P-C4'-P energy: -41.752
tors. eta vs tors. theta energy: -68.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -819.206677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.206677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.206677 (E_RNA)
where:
Base-Base interactions energy: -571.849
where: short stacking energy: -248.922
Base-Backbone interact. energy: 5.527
local terms energy: -252.884218
where:
bonds (distance) C4'-P energy: -39.570
bonds (distance) P-C4' energy: -56.189
flat angles C4'-P-C4' energy: -64.534
flat angles P-C4'-P energy: -38.882
tors. eta vs tors. theta energy: -53.709
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: 2
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -775.633243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.633243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.633243 (E_RNA)
where:
Base-Base interactions energy: -535.687
where: short stacking energy: -234.246
Base-Backbone interact. energy: -0.838
local terms energy: -239.108711
where:
bonds (distance) C4'-P energy: -45.958
bonds (distance) P-C4' energy: -43.244
flat angles C4'-P-C4' energy: -58.787
flat angles P-C4'-P energy: -33.495
tors. eta vs tors. theta energy: -57.625
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: 6
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -654.593117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.593117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.593117 (E_RNA)
where:
Base-Base interactions energy: -439.527
where: short stacking energy: -198.005
Base-Backbone interact. energy: -0.919
local terms energy: -214.147120
where:
bonds (distance) C4'-P energy: -48.230
bonds (distance) P-C4' energy: -46.946
flat angles C4'-P-C4' energy: -46.150
flat angles P-C4'-P energy: -31.309
tors. eta vs tors. theta energy: -41.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -604.020460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.020460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.020460 (E_RNA)
where:
Base-Base interactions energy: -370.640
where: short stacking energy: -163.669
Base-Backbone interact. energy: -1.079
local terms energy: -232.301215
where:
bonds (distance) C4'-P energy: -44.661
bonds (distance) P-C4' energy: -47.666
flat angles C4'-P-C4' energy: -46.003
flat angles P-C4'-P energy: -46.684
tors. eta vs tors. theta energy: -47.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -561.828643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.828643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.828643 (E_RNA)
where:
Base-Base interactions energy: -372.786
where: short stacking energy: -158.466
Base-Backbone interact. energy: 1.273
local terms energy: -190.315568
where:
bonds (distance) C4'-P energy: -40.922
bonds (distance) P-C4' energy: -43.976
flat angles C4'-P-C4' energy: -47.661
flat angles P-C4'-P energy: -20.734
tors. eta vs tors. theta energy: -37.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -379.957744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.957744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.957744 (E_RNA)
where:
Base-Base interactions energy: -200.677
where: short stacking energy: -93.915
Base-Backbone interact. energy: -0.238
local terms energy: -179.042646
where:
bonds (distance) C4'-P energy: -52.829
bonds (distance) P-C4' energy: -46.392
flat angles C4'-P-C4' energy: -51.744
flat angles P-C4'-P energy: -21.151
tors. eta vs tors. theta energy: -6.927
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: 10, replica: 9
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -221.699937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.699937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.699937 (E_RNA)
where:
Base-Base interactions energy: -82.660
where: short stacking energy: -77.033
Base-Backbone interact. energy: -0.864
local terms energy: -138.175753
where:
bonds (distance) C4'-P energy: -45.365
bonds (distance) P-C4' energy: -44.698
flat angles C4'-P-C4' energy: -30.411
flat angles P-C4'-P energy: -21.332
tors. eta vs tors. theta energy: 3.630
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: 1, replica: 1
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -918.942643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.942643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.942643 (E_RNA)
where:
Base-Base interactions energy: -654.974
where: short stacking energy: -261.602
Base-Backbone interact. energy: 0.172
local terms energy: -264.141240
where:
bonds (distance) C4'-P energy: -43.979
bonds (distance) P-C4' energy: -49.207
flat angles C4'-P-C4' energy: -54.778
flat angles P-C4'-P energy: -41.205
tors. eta vs tors. theta energy: -74.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -890.026312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.026312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.026312 (E_RNA)
where:
Base-Base interactions energy: -625.326
where: short stacking energy: -270.261
Base-Backbone interact. energy: 0.208
local terms energy: -264.908449
where:
bonds (distance) C4'-P energy: -45.938
bonds (distance) P-C4' energy: -42.897
flat angles C4'-P-C4' energy: -60.962
flat angles P-C4'-P energy: -36.947
tors. eta vs tors. theta energy: -78.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -887.942031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.942031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.942031 (E_RNA)
where:
Base-Base interactions energy: -632.509
where: short stacking energy: -259.949
Base-Backbone interact. energy: 1.162
local terms energy: -256.594911
where:
bonds (distance) C4'-P energy: -50.865
bonds (distance) P-C4' energy: -52.287
flat angles C4'-P-C4' energy: -51.174
flat angles P-C4'-P energy: -39.268
tors. eta vs tors. theta energy: -63.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -804.826852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.826852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.826852 (E_RNA)
where:
Base-Base interactions energy: -551.646
where: short stacking energy: -243.707
Base-Backbone interact. energy: 0.596
local terms energy: -253.777081
where:
bonds (distance) C4'-P energy: -48.938
bonds (distance) P-C4' energy: -49.177
flat angles C4'-P-C4' energy: -48.944
flat angles P-C4'-P energy: -40.487
tors. eta vs tors. theta energy: -66.231
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: 5, replica: 2
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -771.364478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.364478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.364478 (E_RNA)
where:
Base-Base interactions energy: -524.476
where: short stacking energy: -219.686
Base-Backbone interact. energy: -1.517
local terms energy: -245.371701
where:
bonds (distance) C4'-P energy: -49.983
bonds (distance) P-C4' energy: -55.168
flat angles C4'-P-C4' energy: -50.303
flat angles P-C4'-P energy: -36.638
tors. eta vs tors. theta energy: -53.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -680.809609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.809609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.809609 (E_RNA)
where:
Base-Base interactions energy: -451.879
where: short stacking energy: -196.716
Base-Backbone interact. energy: -0.036
local terms energy: -228.894130
where:
bonds (distance) C4'-P energy: -45.742
bonds (distance) P-C4' energy: -47.563
flat angles C4'-P-C4' energy: -49.404
flat angles P-C4'-P energy: -37.751
tors. eta vs tors. theta energy: -48.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -586.484241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.484241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.484241 (E_RNA)
where:
Base-Base interactions energy: -370.635
where: short stacking energy: -174.443
Base-Backbone interact. energy: -1.342
local terms energy: -214.507058
where:
bonds (distance) C4'-P energy: -44.055
bonds (distance) P-C4' energy: -53.782
flat angles C4'-P-C4' energy: -43.369
flat angles P-C4'-P energy: -30.085
tors. eta vs tors. theta energy: -43.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -527.640324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.640324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.640324 (E_RNA)
where:
Base-Base interactions energy: -340.108
where: short stacking energy: -162.130
Base-Backbone interact. energy: 0.170
local terms energy: -187.702408
where:
bonds (distance) C4'-P energy: -43.445
bonds (distance) P-C4' energy: -45.283
flat angles C4'-P-C4' energy: -40.905
flat angles P-C4'-P energy: -33.268
tors. eta vs tors. theta energy: -24.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -387.757403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.757403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.757403 (E_RNA)
where:
Base-Base interactions energy: -213.490
where: short stacking energy: -112.473
Base-Backbone interact. energy: 1.181
local terms energy: -175.448400
where:
bonds (distance) C4'-P energy: -52.825
bonds (distance) P-C4' energy: -39.365
flat angles C4'-P-C4' energy: -41.399
flat angles P-C4'-P energy: -32.554
tors. eta vs tors. theta energy: -9.306
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: 9
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -227.628593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.628593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.628593 (E_RNA)
where:
Base-Base interactions energy: -78.884
where: short stacking energy: -62.564
Base-Backbone interact. energy: 0.521
local terms energy: -149.265389
where:
bonds (distance) C4'-P energy: -41.551
bonds (distance) P-C4' energy: -50.369
flat angles C4'-P-C4' energy: -36.137
flat angles P-C4'-P energy: -25.723
tors. eta vs tors. theta energy: 4.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -917.081658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.081658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.081658 (E_RNA)
where:
Base-Base interactions energy: -643.861
where: short stacking energy: -262.336
Base-Backbone interact. energy: -1.006
local terms energy: -272.214408
where:
bonds (distance) C4'-P energy: -52.481
bonds (distance) P-C4' energy: -49.217
flat angles C4'-P-C4' energy: -59.566
flat angles P-C4'-P energy: -36.860
tors. eta vs tors. theta energy: -74.091
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: 2, replica: 4
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -889.973915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.973915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.973915 (E_RNA)
where:
Base-Base interactions energy: -617.175
where: short stacking energy: -261.190
Base-Backbone interact. energy: 2.308
local terms energy: -275.106630
where:
bonds (distance) C4'-P energy: -52.495
bonds (distance) P-C4' energy: -45.748
flat angles C4'-P-C4' energy: -63.572
flat angles P-C4'-P energy: -45.353
tors. eta vs tors. theta energy: -67.939
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: 3, replica: 3
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -868.314375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.314375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.314375 (E_RNA)
where:
Base-Base interactions energy: -600.042
where: short stacking energy: -244.944
Base-Backbone interact. energy: 3.124
local terms energy: -271.396443
where:
bonds (distance) C4'-P energy: -53.533
bonds (distance) P-C4' energy: -56.149
flat angles C4'-P-C4' energy: -60.944
flat angles P-C4'-P energy: -31.457
tors. eta vs tors. theta energy: -69.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -806.879120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.879120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.879120 (E_RNA)
where:
Base-Base interactions energy: -552.793
where: short stacking energy: -237.329
Base-Backbone interact. energy: -1.442
local terms energy: -252.644232
where:
bonds (distance) C4'-P energy: -53.410
bonds (distance) P-C4' energy: -52.424
flat angles C4'-P-C4' energy: -45.333
flat angles P-C4'-P energy: -36.375
tors. eta vs tors. theta energy: -65.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -710.859096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.859096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.859096 (E_RNA)
where:
Base-Base interactions energy: -486.250
where: short stacking energy: -210.916
Base-Backbone interact. energy: -0.783
local terms energy: -223.825594
where:
bonds (distance) C4'-P energy: -49.497
bonds (distance) P-C4' energy: -45.302
flat angles C4'-P-C4' energy: -44.417
flat angles P-C4'-P energy: -34.575
tors. eta vs tors. theta energy: -50.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -665.823238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.823238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.823238 (E_RNA)
where:
Base-Base interactions energy: -448.379
where: short stacking energy: -199.983
Base-Backbone interact. energy: -1.984
local terms energy: -215.460655
where:
bonds (distance) C4'-P energy: -51.016
bonds (distance) P-C4' energy: -44.541
flat angles C4'-P-C4' energy: -46.843
flat angles P-C4'-P energy: -29.382
tors. eta vs tors. theta energy: -43.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -632.567832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.567832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.567832 (E_RNA)
where:
Base-Base interactions energy: -402.477
where: short stacking energy: -185.446
Base-Backbone interact. energy: -1.307
local terms energy: -228.783171
where:
bonds (distance) C4'-P energy: -43.045
bonds (distance) P-C4' energy: -53.798
flat angles C4'-P-C4' energy: -56.762
flat angles P-C4'-P energy: -31.991
tors. eta vs tors. theta energy: -43.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -558.726106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.726106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.726106 (E_RNA)
where:
Base-Base interactions energy: -370.512
where: short stacking energy: -166.086
Base-Backbone interact. energy: 1.078
local terms energy: -189.292140
where:
bonds (distance) C4'-P energy: -38.080
bonds (distance) P-C4' energy: -43.461
flat angles C4'-P-C4' energy: -44.488
flat angles P-C4'-P energy: -27.476
tors. eta vs tors. theta energy: -35.787
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: 9, replica: 10
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -322.322718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.322718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.322718 (E_RNA)
where:
Base-Base interactions energy: -160.299
where: short stacking energy: -100.985
Base-Backbone interact. energy: 0.044
local terms energy: -162.067497
where:
bonds (distance) C4'-P energy: -40.886
bonds (distance) P-C4' energy: -53.567
flat angles C4'-P-C4' energy: -40.514
flat angles P-C4'-P energy: -17.961
tors. eta vs tors. theta energy: -9.140
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: 10, replica: 9
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -249.855654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.855654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.855654 (E_RNA)
where:
Base-Base interactions energy: -89.220
where: short stacking energy: -84.083
Base-Backbone interact. energy: 1.398
local terms energy: -162.033734
where:
bonds (distance) C4'-P energy: -51.782
bonds (distance) P-C4' energy: -46.614
flat angles C4'-P-C4' energy: -34.946
flat angles P-C4'-P energy: -23.561
tors. eta vs tors. theta energy: -5.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -922.394108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.394108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.394108 (E_RNA)
where:
Base-Base interactions energy: -642.034
where: short stacking energy: -260.396
Base-Backbone interact. energy: 3.233
local terms energy: -283.593306
where:
bonds (distance) C4'-P energy: -59.765
bonds (distance) P-C4' energy: -51.114
flat angles C4'-P-C4' energy: -55.960
flat angles P-C4'-P energy: -43.192
tors. eta vs tors. theta energy: -73.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -878.868038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.868038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.868038 (E_RNA)
where:
Base-Base interactions energy: -610.961
where: short stacking energy: -254.374
Base-Backbone interact. energy: 1.278
local terms energy: -269.184758
where:
bonds (distance) C4'-P energy: -51.005
bonds (distance) P-C4' energy: -50.267
flat angles C4'-P-C4' energy: -63.827
flat angles P-C4'-P energy: -39.391
tors. eta vs tors. theta energy: -64.695
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: 3, replica: 3
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -846.176453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.176453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.176453 (E_RNA)
where:
Base-Base interactions energy: -582.445
where: short stacking energy: -249.415
Base-Backbone interact. energy: -0.863
local terms energy: -262.868664
where:
bonds (distance) C4'-P energy: -37.780
bonds (distance) P-C4' energy: -46.208
flat angles C4'-P-C4' energy: -56.190
flat angles P-C4'-P energy: -45.797
tors. eta vs tors. theta energy: -76.894
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: 5
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -840.065863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.065863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.065863 (E_RNA)
where:
Base-Base interactions energy: -575.953
where: short stacking energy: -252.926
Base-Backbone interact. energy: -1.560
local terms energy: -262.552467
where:
bonds (distance) C4'-P energy: -41.547
bonds (distance) P-C4' energy: -56.837
flat angles C4'-P-C4' energy: -56.963
flat angles P-C4'-P energy: -41.886
tors. eta vs tors. theta energy: -65.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -710.610143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.610143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.610143 (E_RNA)
where:
Base-Base interactions energy: -472.811
where: short stacking energy: -201.412
Base-Backbone interact. energy: -0.127
local terms energy: -237.672612
where:
bonds (distance) C4'-P energy: -46.534
bonds (distance) P-C4' energy: -51.112
flat angles C4'-P-C4' energy: -57.245
flat angles P-C4'-P energy: -35.808
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: 6, replica: 2
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -695.289604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.289604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.289604 (E_RNA)
where:
Base-Base interactions energy: -479.549
where: short stacking energy: -217.268
Base-Backbone interact. energy: -0.995
local terms energy: -214.745579
where:
bonds (distance) C4'-P energy: -48.763
bonds (distance) P-C4' energy: -40.291
flat angles C4'-P-C4' energy: -49.653
flat angles P-C4'-P energy: -22.958
tors. eta vs tors. theta energy: -53.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -602.846365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.846365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.846365 (E_RNA)
where:
Base-Base interactions energy: -409.998
where: short stacking energy: -181.510
Base-Backbone interact. energy: -0.975
local terms energy: -191.873366
where:
bonds (distance) C4'-P energy: -41.778
bonds (distance) P-C4' energy: -47.768
flat angles C4'-P-C4' energy: -45.450
flat angles P-C4'-P energy: -25.336
tors. eta vs tors. theta energy: -31.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -605.156727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.156727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.156727 (E_RNA)
where:
Base-Base interactions energy: -397.681
where: short stacking energy: -167.866
Base-Backbone interact. energy: 1.027
local terms energy: -208.502901
where:
bonds (distance) C4'-P energy: -37.199
bonds (distance) P-C4' energy: -46.616
flat angles C4'-P-C4' energy: -43.812
flat angles P-C4'-P energy: -34.812
tors. eta vs tors. theta energy: -46.064
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: 10
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -333.369239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.369239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.369239 (E_RNA)
where:
Base-Base interactions energy: -165.818
where: short stacking energy: -91.063
Base-Backbone interact. energy: 3.647
local terms energy: -171.197766
where:
bonds (distance) C4'-P energy: -46.175
bonds (distance) P-C4' energy: -52.027
flat angles C4'-P-C4' energy: -33.679
flat angles P-C4'-P energy: -30.112
tors. eta vs tors. theta energy: -9.204
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: 10, replica: 9
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -235.841270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.841270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.841270 (E_RNA)
where:
Base-Base interactions energy: -87.186
where: short stacking energy: -72.394
Base-Backbone interact. energy: -0.114
local terms energy: -148.540849
where:
bonds (distance) C4'-P energy: -38.445
bonds (distance) P-C4' energy: -50.619
flat angles C4'-P-C4' energy: -38.653
flat angles P-C4'-P energy: -16.040
tors. eta vs tors. theta energy: -4.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -931.287719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.287719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.287719 (E_RNA)
where:
Base-Base interactions energy: -644.288
where: short stacking energy: -260.011
Base-Backbone interact. energy: 1.839
local terms energy: -288.838890
where:
bonds (distance) C4'-P energy: -57.193
bonds (distance) P-C4' energy: -53.223
flat angles C4'-P-C4' energy: -61.048
flat angles P-C4'-P energy: -43.658
tors. eta vs tors. theta energy: -73.716
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: 3
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -907.807384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.807384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.807384 (E_RNA)
where:
Base-Base interactions energy: -639.475
where: short stacking energy: -274.374
Base-Backbone interact. energy: 5.227
local terms energy: -273.559952
where:
bonds (distance) C4'-P energy: -53.076
bonds (distance) P-C4' energy: -51.131
flat angles C4'-P-C4' energy: -63.463
flat angles P-C4'-P energy: -32.129
tors. eta vs tors. theta energy: -73.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -850.840676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.840676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.840676 (E_RNA)
where:
Base-Base interactions energy: -589.528
where: short stacking energy: -250.951
Base-Backbone interact. energy: -1.797
local terms energy: -259.515811
where:
bonds (distance) C4'-P energy: -41.696
bonds (distance) P-C4' energy: -40.241
flat angles C4'-P-C4' energy: -61.658
flat angles P-C4'-P energy: -43.278
tors. eta vs tors. theta energy: -72.642
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: 5
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -810.958736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.958736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.958736 (E_RNA)
where:
Base-Base interactions energy: -552.504
where: short stacking energy: -232.696
Base-Backbone interact. energy: -2.067
local terms energy: -256.387577
where:
bonds (distance) C4'-P energy: -50.299
bonds (distance) P-C4' energy: -45.911
flat angles C4'-P-C4' energy: -62.732
flat angles P-C4'-P energy: -38.667
tors. eta vs tors. theta energy: -58.778
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: 217
Temperature: 1.100000
Total energy: -725.885372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.885372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.885372 (E_RNA)
where:
Base-Base interactions energy: -484.960
where: short stacking energy: -231.215
Base-Backbone interact. energy: -0.053
local terms energy: -240.872385
where:
bonds (distance) C4'-P energy: -39.035
bonds (distance) P-C4' energy: -48.132
flat angles C4'-P-C4' energy: -54.857
flat angles P-C4'-P energy: -32.275
tors. eta vs tors. theta energy: -66.574
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: 2
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -684.604458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.604458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.604458 (E_RNA)
where:
Base-Base interactions energy: -464.317
where: short stacking energy: -207.972
Base-Backbone interact. energy: 1.944
local terms energy: -222.231680
where:
bonds (distance) C4'-P energy: -33.892
bonds (distance) P-C4' energy: -50.288
flat angles C4'-P-C4' energy: -60.601
flat angles P-C4'-P energy: -37.777
tors. eta vs tors. theta energy: -39.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -572.234625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.234625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.234625 (E_RNA)
where:
Base-Base interactions energy: -344.302
where: short stacking energy: -156.891
Base-Backbone interact. energy: 0.284
local terms energy: -228.216107
where:
bonds (distance) C4'-P energy: -55.954
bonds (distance) P-C4' energy: -57.401
flat angles C4'-P-C4' energy: -47.553
flat angles P-C4'-P energy: -30.709
tors. eta vs tors. theta energy: -36.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -594.467229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.467229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.467229 (E_RNA)
where:
Base-Base interactions energy: -394.590
where: short stacking energy: -176.364
Base-Backbone interact. energy: -0.650
local terms energy: -199.227139
where:
bonds (distance) C4'-P energy: -35.888
bonds (distance) P-C4' energy: -49.788
flat angles C4'-P-C4' energy: -44.281
flat angles P-C4'-P energy: -31.919
tors. eta vs tors. theta energy: -37.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -338.795331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.795331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.795331 (E_RNA)
where:
Base-Base interactions energy: -166.828
where: short stacking energy: -102.545
Base-Backbone interact. energy: -3.050
local terms energy: -168.917306
where:
bonds (distance) C4'-P energy: -42.627
bonds (distance) P-C4' energy: -52.542
flat angles C4'-P-C4' energy: -33.917
flat angles P-C4'-P energy: -33.650
tors. eta vs tors. theta energy: -6.181
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: 10, replica: 9
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -244.812635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.812635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.812635 (E_RNA)
where:
Base-Base interactions energy: -82.026
where: short stacking energy: -75.439
Base-Backbone interact. energy: 0.846
local terms energy: -163.633288
where:
bonds (distance) C4'-P energy: -49.859
bonds (distance) P-C4' energy: -45.540
flat angles C4'-P-C4' energy: -31.523
flat angles P-C4'-P energy: -30.694
tors. eta vs tors. theta energy: -6.017
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: 1, replica: 3
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -895.911812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.911812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.911812 (E_RNA)
where:
Base-Base interactions energy: -612.978
where: short stacking energy: -268.603
Base-Backbone interact. energy: -0.112
local terms energy: -282.822268
where:
bonds (distance) C4'-P energy: -51.640
bonds (distance) P-C4' energy: -58.154
flat angles C4'-P-C4' energy: -57.866
flat angles P-C4'-P energy: -46.591
tors. eta vs tors. theta energy: -68.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -887.275444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.275444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.275444 (E_RNA)
where:
Base-Base interactions energy: -626.926
where: short stacking energy: -257.489
Base-Backbone interact. energy: -1.325
local terms energy: -259.024478
where:
bonds (distance) C4'-P energy: -44.342
bonds (distance) P-C4' energy: -48.655
flat angles C4'-P-C4' energy: -59.675
flat angles P-C4'-P energy: -37.419
tors. eta vs tors. theta energy: -68.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -842.271549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.271549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.271549 (E_RNA)
where:
Base-Base interactions energy: -577.617
where: short stacking energy: -252.541
Base-Backbone interact. energy: -1.629
local terms energy: -263.025578
where:
bonds (distance) C4'-P energy: -51.807
bonds (distance) P-C4' energy: -47.168
flat angles C4'-P-C4' energy: -60.016
flat angles P-C4'-P energy: -40.829
tors. eta vs tors. theta energy: -63.206
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: 4, replica: 5
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -792.206962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.206962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.206962 (E_RNA)
where:
Base-Base interactions energy: -547.361
where: short stacking energy: -231.477
Base-Backbone interact. energy: -2.151
local terms energy: -242.694195
where:
bonds (distance) C4'-P energy: -44.991
bonds (distance) P-C4' energy: -42.657
flat angles C4'-P-C4' energy: -51.316
flat angles P-C4'-P energy: -38.551
tors. eta vs tors. theta energy: -65.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -733.394954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.394954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.394954 (E_RNA)
where:
Base-Base interactions energy: -486.526
where: short stacking energy: -205.322
Base-Backbone interact. energy: 1.003
local terms energy: -247.872627
where:
bonds (distance) C4'-P energy: -55.633
bonds (distance) P-C4' energy: -50.369
flat angles C4'-P-C4' energy: -55.935
flat angles P-C4'-P energy: -31.365
tors. eta vs tors. theta energy: -54.571
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: 6
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -676.609125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.609125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.609125 (E_RNA)
where:
Base-Base interactions energy: -452.608
where: short stacking energy: -194.433
Base-Backbone interact. energy: -0.345
local terms energy: -223.655573
where:
bonds (distance) C4'-P energy: -42.043
bonds (distance) P-C4' energy: -45.913
flat angles C4'-P-C4' energy: -49.639
flat angles P-C4'-P energy: -35.181
tors. eta vs tors. theta energy: -50.881
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: 8
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -568.203624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.203624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.203624 (E_RNA)
where:
Base-Base interactions energy: -368.015
where: short stacking energy: -166.165
Base-Backbone interact. energy: -0.639
local terms energy: -199.548722
where:
bonds (distance) C4'-P energy: -43.163
bonds (distance) P-C4' energy: -52.180
flat angles C4'-P-C4' energy: -48.091
flat angles P-C4'-P energy: -26.634
tors. eta vs tors. theta energy: -29.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -553.185370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.185370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.185370 (E_RNA)
where:
Base-Base interactions energy: -371.333
where: short stacking energy: -169.814
Base-Backbone interact. energy: 1.030
local terms energy: -182.882387
where:
bonds (distance) C4'-P energy: -39.709
bonds (distance) P-C4' energy: -47.296
flat angles C4'-P-C4' energy: -39.830
flat angles P-C4'-P energy: -19.898
tors. eta vs tors. theta energy: -36.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -309.239797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.239797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.239797 (E_RNA)
where:
Base-Base interactions energy: -168.880
where: short stacking energy: -109.913
Base-Backbone interact. energy: 0.266
local terms energy: -140.625895
where:
bonds (distance) C4'-P energy: -31.231
bonds (distance) P-C4' energy: -54.339
flat angles C4'-P-C4' energy: -26.530
flat angles P-C4'-P energy: -31.491
tors. eta vs tors. theta energy: 2.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -245.772527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.772527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.772527 (E_RNA)
where:
Base-Base interactions energy: -84.561
where: short stacking energy: -65.796
Base-Backbone interact. energy: -0.169
local terms energy: -161.041704
where:
bonds (distance) C4'-P energy: -46.144
bonds (distance) P-C4' energy: -47.616
flat angles C4'-P-C4' energy: -34.145
flat angles P-C4'-P energy: -26.183
tors. eta vs tors. theta energy: -6.953
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: 1, replica: 3
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -906.427580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.427580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.427580 (E_RNA)
where:
Base-Base interactions energy: -623.495
where: short stacking energy: -268.568
Base-Backbone interact. energy: -1.429
local terms energy: -281.502815
where:
bonds (distance) C4'-P energy: -49.409
bonds (distance) P-C4' energy: -53.285
flat angles C4'-P-C4' energy: -58.414
flat angles P-C4'-P energy: -42.044
tors. eta vs tors. theta energy: -78.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -905.517442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.517442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.517442 (E_RNA)
where:
Base-Base interactions energy: -632.906
where: short stacking energy: -267.162
Base-Backbone interact. energy: -1.333
local terms energy: -271.278145
where:
bonds (distance) C4'-P energy: -54.306
bonds (distance) P-C4' energy: -58.190
flat angles C4'-P-C4' energy: -50.626
flat angles P-C4'-P energy: -38.134
tors. eta vs tors. theta energy: -70.023
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: 4
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -863.738835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.738835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.738835 (E_RNA)
where:
Base-Base interactions energy: -606.095
where: short stacking energy: -250.751
Base-Backbone interact. energy: -0.893
local terms energy: -256.749985
where:
bonds (distance) C4'-P energy: -49.597
bonds (distance) P-C4' energy: -45.161
flat angles C4'-P-C4' energy: -59.331
flat angles P-C4'-P energy: -38.794
tors. eta vs tors. theta energy: -63.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -815.720797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.720797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.720797 (E_RNA)
where:
Base-Base interactions energy: -574.659
where: short stacking energy: -254.222
Base-Backbone interact. energy: -0.786
local terms energy: -240.275782
where:
bonds (distance) C4'-P energy: -38.955
bonds (distance) P-C4' energy: -52.410
flat angles C4'-P-C4' energy: -50.039
flat angles P-C4'-P energy: -36.238
tors. eta vs tors. theta energy: -62.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -737.730521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.730521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.730521 (E_RNA)
where:
Base-Base interactions energy: -488.144
where: short stacking energy: -207.032
Base-Backbone interact. energy: -0.605
local terms energy: -248.982111
where:
bonds (distance) C4'-P energy: -50.184
bonds (distance) P-C4' energy: -49.920
flat angles C4'-P-C4' energy: -52.817
flat angles P-C4'-P energy: -39.634
tors. eta vs tors. theta energy: -56.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -650.139772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.139772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.139772 (E_RNA)
where:
Base-Base interactions energy: -426.061
where: short stacking energy: -209.774
Base-Backbone interact. energy: 0.041
local terms energy: -224.119567
where:
bonds (distance) C4'-P energy: -45.876
bonds (distance) P-C4' energy: -45.938
flat angles C4'-P-C4' energy: -42.141
flat angles P-C4'-P energy: -33.960
tors. eta vs tors. theta energy: -56.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -620.194832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.194832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.194832 (E_RNA)
where:
Base-Base interactions energy: -403.113
where: short stacking energy: -186.750
Base-Backbone interact. energy: -0.149
local terms energy: -216.932495
where:
bonds (distance) C4'-P energy: -38.823
bonds (distance) P-C4' energy: -44.622
flat angles C4'-P-C4' energy: -49.667
flat angles P-C4'-P energy: -37.422
tors. eta vs tors. theta energy: -46.399
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: 7
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -565.269110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.269110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.269110 (E_RNA)
where:
Base-Base interactions energy: -382.007
where: short stacking energy: -157.099
Base-Backbone interact. energy: 0.141
local terms energy: -183.403406
where:
bonds (distance) C4'-P energy: -34.806
bonds (distance) P-C4' energy: -38.866
flat angles C4'-P-C4' energy: -48.615
flat angles P-C4'-P energy: -23.817
tors. eta vs tors. theta energy: -37.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -331.203478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.203478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.203478 (E_RNA)
where:
Base-Base interactions energy: -175.854
where: short stacking energy: -100.109
Base-Backbone interact. energy: -1.303
local terms energy: -154.046490
where:
bonds (distance) C4'-P energy: -41.555
bonds (distance) P-C4' energy: -45.467
flat angles C4'-P-C4' energy: -35.981
flat angles P-C4'-P energy: -24.256
tors. eta vs tors. theta energy: -6.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -278.270059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.270059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.270059 (E_RNA)
where:
Base-Base interactions energy: -107.908
where: short stacking energy: -61.212
Base-Backbone interact. energy: 0.779
local terms energy: -171.141072
where:
bonds (distance) C4'-P energy: -47.200
bonds (distance) P-C4' energy: -50.541
flat angles C4'-P-C4' energy: -36.617
flat angles P-C4'-P energy: -30.019
tors. eta vs tors. theta energy: -6.765
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: 3
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -901.227421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.227421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.227421 (E_RNA)
where:
Base-Base interactions energy: -619.391
where: short stacking energy: -276.411
Base-Backbone interact. energy: -0.721
local terms energy: -281.114740
where:
bonds (distance) C4'-P energy: -48.972
bonds (distance) P-C4' energy: -50.498
flat angles C4'-P-C4' energy: -60.387
flat angles P-C4'-P energy: -44.552
tors. eta vs tors. theta energy: -76.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -895.908583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.908583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.908583 (E_RNA)
where:
Base-Base interactions energy: -629.237
where: short stacking energy: -271.389
Base-Backbone interact. energy: -1.693
local terms energy: -264.978853
where:
bonds (distance) C4'-P energy: -51.316
bonds (distance) P-C4' energy: -49.677
flat angles C4'-P-C4' energy: -52.981
flat angles P-C4'-P energy: -38.007
tors. eta vs tors. theta energy: -72.998
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: 5
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -847.771351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.771351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.771351 (E_RNA)
where:
Base-Base interactions energy: -580.159
where: short stacking energy: -259.683
Base-Backbone interact. energy: 0.855
local terms energy: -268.467803
where:
bonds (distance) C4'-P energy: -53.025
bonds (distance) P-C4' energy: -52.149
flat angles C4'-P-C4' energy: -53.581
flat angles P-C4'-P energy: -37.344
tors. eta vs tors. theta energy: -72.369
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: 220
Temperature: 1.050000
Total energy: -832.824421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.824421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.824421 (E_RNA)
where:
Base-Base interactions energy: -564.059
where: short stacking energy: -245.091
Base-Backbone interact. energy: -0.191
local terms energy: -268.574678
where:
bonds (distance) C4'-P energy: -40.452
bonds (distance) P-C4' energy: -53.387
flat angles C4'-P-C4' energy: -64.524
flat angles P-C4'-P energy: -38.247
tors. eta vs tors. theta energy: -71.964
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: 2
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -715.758669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.758669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.758669 (E_RNA)
where:
Base-Base interactions energy: -498.213
where: short stacking energy: -211.639
Base-Backbone interact. energy: -0.736
local terms energy: -216.809310
where:
bonds (distance) C4'-P energy: -41.559
bonds (distance) P-C4' energy: -51.078
flat angles C4'-P-C4' energy: -44.246
flat angles P-C4'-P energy: -31.784
tors. eta vs tors. theta energy: -48.143
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: 6
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -633.110488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.110488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.110488 (E_RNA)
where:
Base-Base interactions energy: -421.885
where: short stacking energy: -189.564
Base-Backbone interact. energy: 1.555
local terms energy: -212.780112
where:
bonds (distance) C4'-P energy: -45.084
bonds (distance) P-C4' energy: -44.119
flat angles C4'-P-C4' energy: -42.447
flat angles P-C4'-P energy: -27.666
tors. eta vs tors. theta energy: -53.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -618.865164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.865164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.865164 (E_RNA)
where:
Base-Base interactions energy: -391.851
where: short stacking energy: -182.472
Base-Backbone interact. energy: -0.482
local terms energy: -226.532132
where:
bonds (distance) C4'-P energy: -47.946
bonds (distance) P-C4' energy: -49.415
flat angles C4'-P-C4' energy: -49.138
flat angles P-C4'-P energy: -32.420
tors. eta vs tors. theta energy: -47.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -532.564081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.564081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.564081 (E_RNA)
where:
Base-Base interactions energy: -320.475
where: short stacking energy: -132.099
Base-Backbone interact. energy: -0.113
local terms energy: -211.975564
where:
bonds (distance) C4'-P energy: -50.293
bonds (distance) P-C4' energy: -51.489
flat angles C4'-P-C4' energy: -54.350
flat angles P-C4'-P energy: -30.983
tors. eta vs tors. theta energy: -24.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -319.424124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.424124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.424124 (E_RNA)
where:
Base-Base interactions energy: -156.208
where: short stacking energy: -93.138
Base-Backbone interact. energy: 2.335
local terms energy: -165.550851
where:
bonds (distance) C4'-P energy: -50.058
bonds (distance) P-C4' energy: -38.685
flat angles C4'-P-C4' energy: -37.586
flat angles P-C4'-P energy: -27.008
tors. eta vs tors. theta energy: -12.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -265.369616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.369616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.369616 (E_RNA)
where:
Base-Base interactions energy: -126.318
where: short stacking energy: -64.985
Base-Backbone interact. energy: -1.563
local terms energy: -137.489110
where:
bonds (distance) C4'-P energy: -44.332
bonds (distance) P-C4' energy: -37.726
flat angles C4'-P-C4' energy: -47.600
flat angles P-C4'-P energy: -20.559
tors. eta vs tors. theta energy: 12.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -894.922588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.922588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.922588 (E_RNA)
where:
Base-Base interactions energy: -619.329
where: short stacking energy: -272.846
Base-Backbone interact. energy: -0.550
local terms energy: -275.043262
where:
bonds (distance) C4'-P energy: -53.643
bonds (distance) P-C4' energy: -49.176
flat angles C4'-P-C4' energy: -55.348
flat angles P-C4'-P energy: -42.335
tors. eta vs tors. theta energy: -74.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -912.083685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.083685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.083685 (E_RNA)
where:
Base-Base interactions energy: -640.345
where: short stacking energy: -264.519
Base-Backbone interact. energy: -2.179
local terms energy: -269.559352
where:
bonds (distance) C4'-P energy: -50.876
bonds (distance) P-C4' energy: -52.709
flat angles C4'-P-C4' energy: -59.765
flat angles P-C4'-P energy: -36.952
tors. eta vs tors. theta energy: -69.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -834.566889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.566889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.566889 (E_RNA)
where:
Base-Base interactions energy: -563.771
where: short stacking energy: -251.560
Base-Backbone interact. energy: 1.755
local terms energy: -272.550997
where:
bonds (distance) C4'-P energy: -46.957
bonds (distance) P-C4' energy: -56.074
flat angles C4'-P-C4' energy: -56.919
flat angles P-C4'-P energy: -39.345
tors. eta vs tors. theta energy: -73.256
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: 221
Temperature: 1.050000
Total energy: -821.956722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.956722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.956722 (E_RNA)
where:
Base-Base interactions energy: -578.667
where: short stacking energy: -249.379
Base-Backbone interact. energy: -1.580
local terms energy: -241.709256
where:
bonds (distance) C4'-P energy: -43.821
bonds (distance) P-C4' energy: -48.715
flat angles C4'-P-C4' energy: -52.743
flat angles P-C4'-P energy: -32.807
tors. eta vs tors. theta energy: -63.624
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: 2
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -734.230812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.230812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.230812 (E_RNA)
where:
Base-Base interactions energy: -502.361
where: short stacking energy: -217.039
Base-Backbone interact. energy: -1.017
local terms energy: -230.852645
where:
bonds (distance) C4'-P energy: -51.924
bonds (distance) P-C4' energy: -46.418
flat angles C4'-P-C4' energy: -50.503
flat angles P-C4'-P energy: -29.833
tors. eta vs tors. theta energy: -52.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -609.359936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.359936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.359936 (E_RNA)
where:
Base-Base interactions energy: -398.437
where: short stacking energy: -166.426
Base-Backbone interact. energy: -2.035
local terms energy: -208.887561
where:
bonds (distance) C4'-P energy: -48.279
bonds (distance) P-C4' energy: -44.045
flat angles C4'-P-C4' energy: -43.303
flat angles P-C4'-P energy: -32.889
tors. eta vs tors. theta energy: -40.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -604.197975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.197975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.197975 (E_RNA)
where:
Base-Base interactions energy: -407.712
where: short stacking energy: -168.689
Base-Backbone interact. energy: -0.502
local terms energy: -195.984010
where:
bonds (distance) C4'-P energy: -35.745
bonds (distance) P-C4' energy: -50.544
flat angles C4'-P-C4' energy: -50.016
flat angles P-C4'-P energy: -29.235
tors. eta vs tors. theta energy: -30.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -602.809310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.809310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.809310 (E_RNA)
where:
Base-Base interactions energy: -397.530
where: short stacking energy: -165.719
Base-Backbone interact. energy: -0.084
local terms energy: -205.195969
where:
bonds (distance) C4'-P energy: -45.044
bonds (distance) P-C4' energy: -54.493
flat angles C4'-P-C4' energy: -42.150
flat angles P-C4'-P energy: -25.897
tors. eta vs tors. theta energy: -37.611
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: 10
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -308.162562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.162562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.162562 (E_RNA)
where:
Base-Base interactions energy: -165.336
where: short stacking energy: -81.887
Base-Backbone interact. energy: -0.530
local terms energy: -142.296768
where:
bonds (distance) C4'-P energy: -44.871
bonds (distance) P-C4' energy: -48.103
flat angles C4'-P-C4' energy: -29.156
flat angles P-C4'-P energy: -23.968
tors. eta vs tors. theta energy: 3.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -233.551056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.551056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.551056 (E_RNA)
where:
Base-Base interactions energy: -102.601
where: short stacking energy: -66.749
Base-Backbone interact. energy: -1.073
local terms energy: -129.876675
where:
bonds (distance) C4'-P energy: -31.620
bonds (distance) P-C4' energy: -43.461
flat angles C4'-P-C4' energy: -36.088
flat angles P-C4'-P energy: -24.644
tors. eta vs tors. theta energy: 5.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -920.371847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.371847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.371847 (E_RNA)
where:
Base-Base interactions energy: -634.579
where: short stacking energy: -261.185
Base-Backbone interact. energy: -2.297
local terms energy: -283.496431
where:
bonds (distance) C4'-P energy: -48.432
bonds (distance) P-C4' energy: -57.848
flat angles C4'-P-C4' energy: -61.694
flat angles P-C4'-P energy: -37.534
tors. eta vs tors. theta energy: -77.989
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: 2, replica: 3
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -863.504975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.504975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.504975 (E_RNA)
where:
Base-Base interactions energy: -589.204
where: short stacking energy: -258.201
Base-Backbone interact. energy: -0.784
local terms energy: -273.517020
where:
bonds (distance) C4'-P energy: -51.983
bonds (distance) P-C4' energy: -52.122
flat angles C4'-P-C4' energy: -61.424
flat angles P-C4'-P energy: -43.890
tors. eta vs tors. theta energy: -64.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -832.302816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.302816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.302816 (E_RNA)
where:
Base-Base interactions energy: -563.844
where: short stacking energy: -251.020
Base-Backbone interact. energy: -1.366
local terms energy: -267.092823
where:
bonds (distance) C4'-P energy: -53.825
bonds (distance) P-C4' energy: -52.755
flat angles C4'-P-C4' energy: -53.942
flat angles P-C4'-P energy: -34.374
tors. eta vs tors. theta energy: -72.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -806.623814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.623814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.623814 (E_RNA)
where:
Base-Base interactions energy: -549.819
where: short stacking energy: -238.438
Base-Backbone interact. energy: 0.404
local terms energy: -257.208933
where:
bonds (distance) C4'-P energy: -50.800
bonds (distance) P-C4' energy: -56.401
flat angles C4'-P-C4' energy: -48.927
flat angles P-C4'-P energy: -42.321
tors. eta vs tors. theta energy: -58.759
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: 2
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -720.819196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.819196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.819196 (E_RNA)
where:
Base-Base interactions energy: -469.051
where: short stacking energy: -203.408
Base-Backbone interact. energy: -2.203
local terms energy: -249.565620
where:
bonds (distance) C4'-P energy: -49.138
bonds (distance) P-C4' energy: -54.036
flat angles C4'-P-C4' energy: -51.606
flat angles P-C4'-P energy: -39.242
tors. eta vs tors. theta energy: -55.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -649.603545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.603545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.603545 (E_RNA)
where:
Base-Base interactions energy: -409.729
where: short stacking energy: -194.390
Base-Backbone interact. energy: -0.701
local terms energy: -239.173458
where:
bonds (distance) C4'-P energy: -52.546
bonds (distance) P-C4' energy: -52.248
flat angles C4'-P-C4' energy: -44.501
flat angles P-C4'-P energy: -36.797
tors. eta vs tors. theta energy: -53.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -625.394286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.394286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.394286 (E_RNA)
where:
Base-Base interactions energy: -427.069
where: short stacking energy: -182.856
Base-Backbone interact. energy: -0.005
local terms energy: -198.320679
where:
bonds (distance) C4'-P energy: -41.833
bonds (distance) P-C4' energy: -44.427
flat angles C4'-P-C4' energy: -40.728
flat angles P-C4'-P energy: -31.368
tors. eta vs tors. theta energy: -39.964
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: 6
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -601.201163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.201163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.201163 (E_RNA)
where:
Base-Base interactions energy: -413.815
where: short stacking energy: -174.322
Base-Backbone interact. energy: -0.279
local terms energy: -187.107379
where:
bonds (distance) C4'-P energy: -42.513
bonds (distance) P-C4' energy: -48.779
flat angles C4'-P-C4' energy: -34.657
flat angles P-C4'-P energy: -23.057
tors. eta vs tors. theta energy: -38.101
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: 10
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -320.257432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.257432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.257432 (E_RNA)
where:
Base-Base interactions energy: -156.755
where: short stacking energy: -89.996
Base-Backbone interact. energy: -1.509
local terms energy: -161.993072
where:
bonds (distance) C4'-P energy: -43.639
bonds (distance) P-C4' energy: -53.460
flat angles C4'-P-C4' energy: -35.082
flat angles P-C4'-P energy: -29.989
tors. eta vs tors. theta energy: 0.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -229.053197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.053197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.053197 (E_RNA)
where:
Base-Base interactions energy: -94.756
where: short stacking energy: -81.749
Base-Backbone interact. energy: -2.055
local terms energy: -132.242451
where:
bonds (distance) C4'-P energy: -37.031
bonds (distance) P-C4' energy: -49.456
flat angles C4'-P-C4' energy: -39.588
flat angles P-C4'-P energy: -7.720
tors. eta vs tors. theta energy: 1.553
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: 1
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -917.084235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.084235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.084235 (E_RNA)
where:
Base-Base interactions energy: -643.666
where: short stacking energy: -267.104
Base-Backbone interact. energy: -2.153
local terms energy: -271.264696
where:
bonds (distance) C4'-P energy: -52.498
bonds (distance) P-C4' energy: -44.974
flat angles C4'-P-C4' energy: -61.994
flat angles P-C4'-P energy: -38.746
tors. eta vs tors. theta energy: -73.052
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: 3
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -870.883669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.883669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.883669 (E_RNA)
where:
Base-Base interactions energy: -609.784
where: short stacking energy: -256.052
Base-Backbone interact. energy: -1.784
local terms energy: -259.315951
where:
bonds (distance) C4'-P energy: -51.774
bonds (distance) P-C4' energy: -52.476
flat angles C4'-P-C4' energy: -54.265
flat angles P-C4'-P energy: -34.073
tors. eta vs tors. theta energy: -66.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -819.102855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.102855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.102855 (E_RNA)
where:
Base-Base interactions energy: -556.927
where: short stacking energy: -235.989
Base-Backbone interact. energy: -1.845
local terms energy: -260.330946
where:
bonds (distance) C4'-P energy: -51.297
bonds (distance) P-C4' energy: -53.528
flat angles C4'-P-C4' energy: -50.640
flat angles P-C4'-P energy: -38.405
tors. eta vs tors. theta energy: -66.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -802.520182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.520182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.520182 (E_RNA)
where:
Base-Base interactions energy: -550.652
where: short stacking energy: -236.465
Base-Backbone interact. energy: -1.522
local terms energy: -250.346498
where:
bonds (distance) C4'-P energy: -55.664
bonds (distance) P-C4' energy: -43.908
flat angles C4'-P-C4' energy: -53.658
flat angles P-C4'-P energy: -34.694
tors. eta vs tors. theta energy: -62.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -743.210495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.210495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.210495 (E_RNA)
where:
Base-Base interactions energy: -495.348
where: short stacking energy: -222.757
Base-Backbone interact. energy: -1.041
local terms energy: -246.821859
where:
bonds (distance) C4'-P energy: -56.691
bonds (distance) P-C4' energy: -47.180
flat angles C4'-P-C4' energy: -53.456
flat angles P-C4'-P energy: -32.006
tors. eta vs tors. theta energy: -57.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -683.558955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.558955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.558955 (E_RNA)
where:
Base-Base interactions energy: -467.507
where: short stacking energy: -197.741
Base-Backbone interact. energy: -1.609
local terms energy: -214.442481
where:
bonds (distance) C4'-P energy: -52.295
bonds (distance) P-C4' energy: -48.442
flat angles C4'-P-C4' energy: -47.765
flat angles P-C4'-P energy: -23.608
tors. eta vs tors. theta energy: -42.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -615.708509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.708509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.708509 (E_RNA)
where:
Base-Base interactions energy: -391.279
where: short stacking energy: -171.098
Base-Backbone interact. energy: -0.674
local terms energy: -223.755219
where:
bonds (distance) C4'-P energy: -45.435
bonds (distance) P-C4' energy: -53.047
flat angles C4'-P-C4' energy: -52.504
flat angles P-C4'-P energy: -30.362
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: 8, replica: 6
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -646.454160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.454160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.454160 (E_RNA)
where:
Base-Base interactions energy: -434.267
where: short stacking energy: -188.898
Base-Backbone interact. energy: -0.058
local terms energy: -212.128363
where:
bonds (distance) C4'-P energy: -43.094
bonds (distance) P-C4' energy: -49.926
flat angles C4'-P-C4' energy: -48.076
flat angles P-C4'-P energy: -27.444
tors. eta vs tors. theta energy: -43.589
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: 10
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -306.111782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.111782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.111782 (E_RNA)
where:
Base-Base interactions energy: -148.647
where: short stacking energy: -83.407
Base-Backbone interact. energy: -1.814
local terms energy: -155.651485
where:
bonds (distance) C4'-P energy: -43.289
bonds (distance) P-C4' energy: -41.685
flat angles C4'-P-C4' energy: -45.065
flat angles P-C4'-P energy: -24.893
tors. eta vs tors. theta energy: -0.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -229.926498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.926498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.926498 (E_RNA)
where:
Base-Base interactions energy: -78.189
where: short stacking energy: -61.821
Base-Backbone interact. energy: 0.838
local terms energy: -152.575935
where:
bonds (distance) C4'-P energy: -45.797
bonds (distance) P-C4' energy: -42.714
flat angles C4'-P-C4' energy: -31.042
flat angles P-C4'-P energy: -35.595
tors. eta vs tors. theta energy: 2.572
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: 1
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -910.730812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.730812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.730812 (E_RNA)
where:
Base-Base interactions energy: -620.695
where: short stacking energy: -263.773
Base-Backbone interact. energy: -2.672
local terms energy: -287.363999
where:
bonds (distance) C4'-P energy: -58.261
bonds (distance) P-C4' energy: -45.509
flat angles C4'-P-C4' energy: -60.983
flat angles P-C4'-P energy: -44.649
tors. eta vs tors. theta energy: -77.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -877.303795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.303795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.303795 (E_RNA)
where:
Base-Base interactions energy: -596.370
where: short stacking energy: -273.434
Base-Backbone interact. energy: -0.930
local terms energy: -280.003716
where:
bonds (distance) C4'-P energy: -55.322
bonds (distance) P-C4' energy: -51.155
flat angles C4'-P-C4' energy: -54.052
flat angles P-C4'-P energy: -39.823
tors. eta vs tors. theta energy: -79.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -831.090374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.090374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.090374 (E_RNA)
where:
Base-Base interactions energy: -581.491
where: short stacking energy: -236.287
Base-Backbone interact. energy: -0.577
local terms energy: -249.022536
where:
bonds (distance) C4'-P energy: -50.103
bonds (distance) P-C4' energy: -45.756
flat angles C4'-P-C4' energy: -52.771
flat angles P-C4'-P energy: -40.117
tors. eta vs tors. theta energy: -60.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -802.793814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.793814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.793814 (E_RNA)
where:
Base-Base interactions energy: -557.240
where: short stacking energy: -234.166
Base-Backbone interact. energy: -1.048
local terms energy: -244.506279
where:
bonds (distance) C4'-P energy: -54.940
bonds (distance) P-C4' energy: -51.418
flat angles C4'-P-C4' energy: -50.716
flat angles P-C4'-P energy: -26.814
tors. eta vs tors. theta energy: -60.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -738.008646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.008646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.008646 (E_RNA)
where:
Base-Base interactions energy: -504.754
where: short stacking energy: -213.438
Base-Backbone interact. energy: -2.603
local terms energy: -230.651736
where:
bonds (distance) C4'-P energy: -52.330
bonds (distance) P-C4' energy: -49.662
flat angles C4'-P-C4' energy: -61.245
flat angles P-C4'-P energy: -19.281
tors. eta vs tors. theta energy: -48.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -692.756825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.756825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.756825 (E_RNA)
where:
Base-Base interactions energy: -459.601
where: short stacking energy: -200.769
Base-Backbone interact. energy: -1.029
local terms energy: -232.127213
where:
bonds (distance) C4'-P energy: -56.629
bonds (distance) P-C4' energy: -47.022
flat angles C4'-P-C4' energy: -41.592
flat angles P-C4'-P energy: -33.343
tors. eta vs tors. theta energy: -53.541
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: 6
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -594.719941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.719941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.719941 (E_RNA)
where:
Base-Base interactions energy: -386.583
where: short stacking energy: -161.551
Base-Backbone interact. energy: -0.627
local terms energy: -207.510065
where:
bonds (distance) C4'-P energy: -47.891
bonds (distance) P-C4' energy: -46.206
flat angles C4'-P-C4' energy: -52.315
flat angles P-C4'-P energy: -26.360
tors. eta vs tors. theta energy: -34.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -572.726098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.726098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.726098 (E_RNA)
where:
Base-Base interactions energy: -363.187
where: short stacking energy: -164.839
Base-Backbone interact. energy: -0.359
local terms energy: -209.180171
where:
bonds (distance) C4'-P energy: -43.076
bonds (distance) P-C4' energy: -47.598
flat angles C4'-P-C4' energy: -50.696
flat angles P-C4'-P energy: -24.939
tors. eta vs tors. theta energy: -42.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -329.389761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.389761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.389761 (E_RNA)
where:
Base-Base interactions energy: -170.360
where: short stacking energy: -112.769
Base-Backbone interact. energy: -2.830
local terms energy: -156.200211
where:
bonds (distance) C4'-P energy: -41.797
bonds (distance) P-C4' energy: -45.766
flat angles C4'-P-C4' energy: -44.059
flat angles P-C4'-P energy: -16.304
tors. eta vs tors. theta energy: -8.274
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: 10, replica: 9
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -239.419234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.419234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.419234 (E_RNA)
where:
Base-Base interactions energy: -80.167
where: short stacking energy: -62.082
Base-Backbone interact. energy: 0.758
local terms energy: -160.010556
where:
bonds (distance) C4'-P energy: -51.451
bonds (distance) P-C4' energy: -48.747
flat angles C4'-P-C4' energy: -29.177
flat angles P-C4'-P energy: -27.031
tors. eta vs tors. theta energy: -3.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -903.401369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.401369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.401369 (E_RNA)
where:
Base-Base interactions energy: -630.087
where: short stacking energy: -257.027
Base-Backbone interact. energy: -0.991
local terms energy: -272.323644
where:
bonds (distance) C4'-P energy: -62.001
bonds (distance) P-C4' energy: -46.563
flat angles C4'-P-C4' energy: -57.387
flat angles P-C4'-P energy: -35.829
tors. eta vs tors. theta energy: -70.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -879.682190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.682190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.682190 (E_RNA)
where:
Base-Base interactions energy: -617.303
where: short stacking energy: -266.040
Base-Backbone interact. energy: 4.315
local terms energy: -266.694562
where:
bonds (distance) C4'-P energy: -57.111
bonds (distance) P-C4' energy: -47.720
flat angles C4'-P-C4' energy: -54.186
flat angles P-C4'-P energy: -35.284
tors. eta vs tors. theta energy: -72.394
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: 3, replica: 5
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -866.813564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.813564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.813564 (E_RNA)
where:
Base-Base interactions energy: -591.466
where: short stacking energy: -250.459
Base-Backbone interact. energy: 2.142
local terms energy: -277.489072
where:
bonds (distance) C4'-P energy: -56.277
bonds (distance) P-C4' energy: -58.256
flat angles C4'-P-C4' energy: -57.090
flat angles P-C4'-P energy: -36.465
tors. eta vs tors. theta energy: -69.401
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: 4
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -807.998968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.998968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.998968 (E_RNA)
where:
Base-Base interactions energy: -544.839
where: short stacking energy: -238.423
Base-Backbone interact. energy: -2.000
local terms energy: -261.159634
where:
bonds (distance) C4'-P energy: -36.408
bonds (distance) P-C4' energy: -59.166
flat angles C4'-P-C4' energy: -57.435
flat angles P-C4'-P energy: -42.557
tors. eta vs tors. theta energy: -65.594
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: 5, replica: 2
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -744.652273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.652273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.652273 (E_RNA)
where:
Base-Base interactions energy: -499.550
where: short stacking energy: -205.906
Base-Backbone interact. energy: 0.274
local terms energy: -245.376425
where:
bonds (distance) C4'-P energy: -47.493
bonds (distance) P-C4' energy: -47.437
flat angles C4'-P-C4' energy: -54.269
flat angles P-C4'-P energy: -40.417
tors. eta vs tors. theta energy: -55.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -697.999693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.999693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.999693 (E_RNA)
where:
Base-Base interactions energy: -455.595
where: short stacking energy: -209.428
Base-Backbone interact. energy: -0.608
local terms energy: -241.796610
where:
bonds (distance) C4'-P energy: -43.217
bonds (distance) P-C4' energy: -54.783
flat angles C4'-P-C4' energy: -50.865
flat angles P-C4'-P energy: -36.176
tors. eta vs tors. theta energy: -56.755
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: 6
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -641.515245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.515245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.515245 (E_RNA)
where:
Base-Base interactions energy: -412.832
where: short stacking energy: -182.783
Base-Backbone interact. energy: 1.105
local terms energy: -229.788819
where:
bonds (distance) C4'-P energy: -56.417
bonds (distance) P-C4' energy: -37.952
flat angles C4'-P-C4' energy: -50.508
flat angles P-C4'-P energy: -34.593
tors. eta vs tors. theta energy: -50.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -561.492364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.492364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.492364 (E_RNA)
where:
Base-Base interactions energy: -358.022
where: short stacking energy: -165.309
Base-Backbone interact. energy: 0.143
local terms energy: -203.613683
where:
bonds (distance) C4'-P energy: -48.539
bonds (distance) P-C4' energy: -48.376
flat angles C4'-P-C4' energy: -44.967
flat angles P-C4'-P energy: -29.084
tors. eta vs tors. theta energy: -32.649
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: 9, replica: 10
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -288.459220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.459220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.459220 (E_RNA)
where:
Base-Base interactions energy: -126.497
where: short stacking energy: -63.145
Base-Backbone interact. energy: 1.396
local terms energy: -163.358852
where:
bonds (distance) C4'-P energy: -49.296
bonds (distance) P-C4' energy: -50.294
flat angles C4'-P-C4' energy: -46.604
flat angles P-C4'-P energy: -17.965
tors. eta vs tors. theta energy: 0.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -288.608739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.608739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.608739 (E_RNA)
where:
Base-Base interactions energy: -114.829
where: short stacking energy: -74.170
Base-Backbone interact. energy: -1.077
local terms energy: -172.702701
where:
bonds (distance) C4'-P energy: -49.976
bonds (distance) P-C4' energy: -40.610
flat angles C4'-P-C4' energy: -51.185
flat angles P-C4'-P energy: -25.808
tors. eta vs tors. theta energy: -5.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -901.684264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.684264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.684264 (E_RNA)
where:
Base-Base interactions energy: -601.539
where: short stacking energy: -266.849
Base-Backbone interact. energy: -1.070
local terms energy: -299.075600
where:
bonds (distance) C4'-P energy: -55.450
bonds (distance) P-C4' energy: -58.212
flat angles C4'-P-C4' energy: -58.570
flat angles P-C4'-P energy: -45.733
tors. eta vs tors. theta energy: -81.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -913.934094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.934094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.934094 (E_RNA)
where:
Base-Base interactions energy: -637.960
where: short stacking energy: -279.872
Base-Backbone interact. energy: -0.430
local terms energy: -275.544471
where:
bonds (distance) C4'-P energy: -49.280
bonds (distance) P-C4' energy: -53.356
flat angles C4'-P-C4' energy: -59.371
flat angles P-C4'-P energy: -36.172
tors. eta vs tors. theta energy: -77.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -852.768266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.768266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.768266 (E_RNA)
where:
Base-Base interactions energy: -604.174
where: short stacking energy: -257.263
Base-Backbone interact. energy: -1.535
local terms energy: -247.059278
where:
bonds (distance) C4'-P energy: -39.070
bonds (distance) P-C4' energy: -53.778
flat angles C4'-P-C4' energy: -51.095
flat angles P-C4'-P energy: -32.603
tors. eta vs tors. theta energy: -70.514
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: 4, replica: 4
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -804.201918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.201918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.201918 (E_RNA)
where:
Base-Base interactions energy: -546.353
where: short stacking energy: -232.125
Base-Backbone interact. energy: 0.783
local terms energy: -258.631479
where:
bonds (distance) C4'-P energy: -38.142
bonds (distance) P-C4' energy: -54.275
flat angles C4'-P-C4' energy: -49.460
flat angles P-C4'-P energy: -51.399
tors. eta vs tors. theta energy: -65.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -694.547436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.547436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.547436 (E_RNA)
where:
Base-Base interactions energy: -457.110
where: short stacking energy: -197.791
Base-Backbone interact. energy: -0.639
local terms energy: -236.798754
where:
bonds (distance) C4'-P energy: -48.421
bonds (distance) P-C4' energy: -54.828
flat angles C4'-P-C4' energy: -49.116
flat angles P-C4'-P energy: -35.170
tors. eta vs tors. theta energy: -49.263
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: 2
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -669.174232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.174232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.174232 (E_RNA)
where:
Base-Base interactions energy: -458.318
where: short stacking energy: -184.450
Base-Backbone interact. energy: 2.622
local terms energy: -213.478637
where:
bonds (distance) C4'-P energy: -49.904
bonds (distance) P-C4' energy: -30.843
flat angles C4'-P-C4' energy: -59.516
flat angles P-C4'-P energy: -31.689
tors. eta vs tors. theta energy: -41.527
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: 226
Temperature: 1.200000
Total energy: -604.292437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.292437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.292437 (E_RNA)
where:
Base-Base interactions energy: -404.361
where: short stacking energy: -168.268
Base-Backbone interact. energy: 0.075
local terms energy: -200.006126
where:
bonds (distance) C4'-P energy: -49.487
bonds (distance) P-C4' energy: -38.281
flat angles C4'-P-C4' energy: -47.061
flat angles P-C4'-P energy: -28.902
tors. eta vs tors. theta energy: -36.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -568.118395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.118395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.118395 (E_RNA)
where:
Base-Base interactions energy: -363.245
where: short stacking energy: -170.213
Base-Backbone interact. energy: -0.315
local terms energy: -204.557986
where:
bonds (distance) C4'-P energy: -49.661
bonds (distance) P-C4' energy: -44.035
flat angles C4'-P-C4' energy: -42.175
flat angles P-C4'-P energy: -32.931
tors. eta vs tors. theta energy: -35.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -313.738267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.738267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.738267 (E_RNA)
where:
Base-Base interactions energy: -149.437
where: short stacking energy: -82.830
Base-Backbone interact. energy: -1.772
local terms energy: -162.528848
where:
bonds (distance) C4'-P energy: -44.620
bonds (distance) P-C4' energy: -46.362
flat angles C4'-P-C4' energy: -38.283
flat angles P-C4'-P energy: -32.141
tors. eta vs tors. theta energy: -1.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -283.772475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.772475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.772475 (E_RNA)
where:
Base-Base interactions energy: -127.948
where: short stacking energy: -81.462
Base-Backbone interact. energy: 2.346
local terms energy: -158.170057
where:
bonds (distance) C4'-P energy: -35.230
bonds (distance) P-C4' energy: -48.441
flat angles C4'-P-C4' energy: -37.592
flat angles P-C4'-P energy: -36.106
tors. eta vs tors. theta energy: -0.801
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: 3
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -897.765987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.765987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.765987 (E_RNA)
where:
Base-Base interactions energy: -605.657
where: short stacking energy: -262.006
Base-Backbone interact. energy: 0.329
local terms energy: -292.438006
where:
bonds (distance) C4'-P energy: -51.846
bonds (distance) P-C4' energy: -62.226
flat angles C4'-P-C4' energy: -61.795
flat angles P-C4'-P energy: -44.205
tors. eta vs tors. theta energy: -72.366
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: 1
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -892.980383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.980383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.980383 (E_RNA)
where:
Base-Base interactions energy: -607.004
where: short stacking energy: -258.917
Base-Backbone interact. energy: -1.228
local terms energy: -284.748565
where:
bonds (distance) C4'-P energy: -58.222
bonds (distance) P-C4' energy: -47.308
flat angles C4'-P-C4' energy: -58.350
flat angles P-C4'-P energy: -42.041
tors. eta vs tors. theta energy: -78.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -862.070726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.070726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.070726 (E_RNA)
where:
Base-Base interactions energy: -600.904
where: short stacking energy: -251.332
Base-Backbone interact. energy: 1.992
local terms energy: -263.158713
where:
bonds (distance) C4'-P energy: -40.049
bonds (distance) P-C4' energy: -52.316
flat angles C4'-P-C4' energy: -58.309
flat angles P-C4'-P energy: -43.222
tors. eta vs tors. theta energy: -69.263
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: 4
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -828.109863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.109863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.109863 (E_RNA)
where:
Base-Base interactions energy: -564.449
where: short stacking energy: -250.635
Base-Backbone interact. energy: -0.710
local terms energy: -262.950192
where:
bonds (distance) C4'-P energy: -47.404
bonds (distance) P-C4' energy: -50.526
flat angles C4'-P-C4' energy: -55.833
flat angles P-C4'-P energy: -36.143
tors. eta vs tors. theta energy: -73.044
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: 7
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -731.713075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.713075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.713075 (E_RNA)
where:
Base-Base interactions energy: -481.090
where: short stacking energy: -204.999
Base-Backbone interact. energy: -1.926
local terms energy: -248.697049
where:
bonds (distance) C4'-P energy: -48.317
bonds (distance) P-C4' energy: -53.550
flat angles C4'-P-C4' energy: -56.607
flat angles P-C4'-P energy: -32.743
tors. eta vs tors. theta energy: -57.479
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: 6, replica: 6
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -651.658274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.658274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.658274 (E_RNA)
where:
Base-Base interactions energy: -418.358
where: short stacking energy: -185.085
Base-Backbone interact. energy: -0.312
local terms energy: -232.987530
where:
bonds (distance) C4'-P energy: -51.694
bonds (distance) P-C4' energy: -49.534
flat angles C4'-P-C4' energy: -49.198
flat angles P-C4'-P energy: -38.262
tors. eta vs tors. theta energy: -44.299
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: 2
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -628.233030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.233030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.233030 (E_RNA)
where:
Base-Base interactions energy: -422.863
where: short stacking energy: -182.806
Base-Backbone interact. energy: 0.308
local terms energy: -205.678954
where:
bonds (distance) C4'-P energy: -47.278
bonds (distance) P-C4' energy: -46.638
flat angles C4'-P-C4' energy: -35.554
flat angles P-C4'-P energy: -33.102
tors. eta vs tors. theta energy: -43.107
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: 8
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -571.805806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.805806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.805806 (E_RNA)
where:
Base-Base interactions energy: -374.839
where: short stacking energy: -168.399
Base-Backbone interact. energy: 2.809
local terms energy: -199.775862
where:
bonds (distance) C4'-P energy: -35.854
bonds (distance) P-C4' energy: -45.598
flat angles C4'-P-C4' energy: -52.162
flat angles P-C4'-P energy: -29.730
tors. eta vs tors. theta energy: -36.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -318.540522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.540522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.540522 (E_RNA)
where:
Base-Base interactions energy: -163.349
where: short stacking energy: -91.049
Base-Backbone interact. energy: 1.265
local terms energy: -156.456306
where:
bonds (distance) C4'-P energy: -47.500
bonds (distance) P-C4' energy: -41.817
flat angles C4'-P-C4' energy: -31.662
flat angles P-C4'-P energy: -21.580
tors. eta vs tors. theta energy: -13.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -261.280343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.280343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.280343 (E_RNA)
where:
Base-Base interactions energy: -131.238
where: short stacking energy: -75.236
Base-Backbone interact. energy: 1.353
local terms energy: -131.395866
where:
bonds (distance) C4'-P energy: -31.072
bonds (distance) P-C4' energy: -44.242
flat angles C4'-P-C4' energy: -42.622
flat angles P-C4'-P energy: -23.521
tors. eta vs tors. theta energy: 10.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -897.399889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.399889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.399889 (E_RNA)
where:
Base-Base interactions energy: -616.050
where: short stacking energy: -277.949
Base-Backbone interact. energy: -0.646
local terms energy: -280.704310
where:
bonds (distance) C4'-P energy: -56.162
bonds (distance) P-C4' energy: -46.756
flat angles C4'-P-C4' energy: -60.704
flat angles P-C4'-P energy: -40.639
tors. eta vs tors. theta energy: -76.444
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: 3
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -875.418046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.418046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.418046 (E_RNA)
where:
Base-Base interactions energy: -593.470
where: short stacking energy: -249.720
Base-Backbone interact. energy: -1.576
local terms energy: -280.372480
where:
bonds (distance) C4'-P energy: -52.916
bonds (distance) P-C4' energy: -55.021
flat angles C4'-P-C4' energy: -58.510
flat angles P-C4'-P energy: -38.073
tors. eta vs tors. theta energy: -75.852
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: 228
Temperature: 1.000000
Total energy: -859.193018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.193018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.193018 (E_RNA)
where:
Base-Base interactions energy: -594.172
where: short stacking energy: -266.122
Base-Backbone interact. energy: -1.452
local terms energy: -263.569636
where:
bonds (distance) C4'-P energy: -48.677
bonds (distance) P-C4' energy: -57.405
flat angles C4'-P-C4' energy: -54.794
flat angles P-C4'-P energy: -34.648
tors. eta vs tors. theta energy: -68.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -814.254528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.254528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.254528 (E_RNA)
where:
Base-Base interactions energy: -555.373
where: short stacking energy: -231.106
Base-Backbone interact. energy: -0.355
local terms energy: -258.526957
where:
bonds (distance) C4'-P energy: -51.214
bonds (distance) P-C4' energy: -48.938
flat angles C4'-P-C4' energy: -56.088
flat angles P-C4'-P energy: -37.041
tors. eta vs tors. theta energy: -65.246
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: 7
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -711.664516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.664516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.664516 (E_RNA)
where:
Base-Base interactions energy: -471.582
where: short stacking energy: -206.071
Base-Backbone interact. energy: -0.294
local terms energy: -239.788573
where:
bonds (distance) C4'-P energy: -43.792
bonds (distance) P-C4' energy: -51.679
flat angles C4'-P-C4' energy: -52.999
flat angles P-C4'-P energy: -35.437
tors. eta vs tors. theta energy: -55.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -639.975742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.975742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.975742 (E_RNA)
where:
Base-Base interactions energy: -428.031
where: short stacking energy: -187.316
Base-Backbone interact. energy: -0.890
local terms energy: -211.054395
where:
bonds (distance) C4'-P energy: -44.607
bonds (distance) P-C4' energy: -48.500
flat angles C4'-P-C4' energy: -47.939
flat angles P-C4'-P energy: -27.380
tors. eta vs tors. theta energy: -42.628
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: 7, replica: 2
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -638.081287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.081287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.081287 (E_RNA)
where:
Base-Base interactions energy: -426.770
where: short stacking energy: -173.656
Base-Backbone interact. energy: -0.882
local terms energy: -210.429513
where:
bonds (distance) C4'-P energy: -52.928
bonds (distance) P-C4' energy: -52.314
flat angles C4'-P-C4' energy: -40.413
flat angles P-C4'-P energy: -28.094
tors. eta vs tors. theta energy: -36.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -597.148251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.148251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.148251 (E_RNA)
where:
Base-Base interactions energy: -375.632
where: short stacking energy: -180.929
Base-Backbone interact. energy: 0.068
local terms energy: -221.583394
where:
bonds (distance) C4'-P energy: -42.405
bonds (distance) P-C4' energy: -52.887
flat angles C4'-P-C4' energy: -54.980
flat angles P-C4'-P energy: -32.103
tors. eta vs tors. theta energy: -39.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -303.608191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.608191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.608191 (E_RNA)
where:
Base-Base interactions energy: -141.559
where: short stacking energy: -87.235
Base-Backbone interact. energy: 0.324
local terms energy: -162.373607
where:
bonds (distance) C4'-P energy: -45.566
bonds (distance) P-C4' energy: -42.269
flat angles C4'-P-C4' energy: -45.205
flat angles P-C4'-P energy: -27.657
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: 10, replica: 9
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -275.141127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.141127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.141127 (E_RNA)
where:
Base-Base interactions energy: -135.438
where: short stacking energy: -86.920
Base-Backbone interact. energy: 0.751
local terms energy: -140.454532
where:
bonds (distance) C4'-P energy: -33.230
bonds (distance) P-C4' energy: -50.083
flat angles C4'-P-C4' energy: -35.913
flat angles P-C4'-P energy: -18.989
tors. eta vs tors. theta energy: -2.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -895.285818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.285818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.285818 (E_RNA)
where:
Base-Base interactions energy: -616.048
where: short stacking energy: -265.593
Base-Backbone interact. energy: -2.901
local terms energy: -276.336056
where:
bonds (distance) C4'-P energy: -50.506
bonds (distance) P-C4' energy: -55.393
flat angles C4'-P-C4' energy: -54.940
flat angles P-C4'-P energy: -44.147
tors. eta vs tors. theta energy: -71.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -864.968196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.968196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.968196 (E_RNA)
where:
Base-Base interactions energy: -590.553
where: short stacking energy: -264.865
Base-Backbone interact. energy: 0.963
local terms energy: -275.378335
where:
bonds (distance) C4'-P energy: -51.478
bonds (distance) P-C4' energy: -51.804
flat angles C4'-P-C4' energy: -57.312
flat angles P-C4'-P energy: -38.967
tors. eta vs tors. theta energy: -75.818
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: 3, replica: 4
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -842.223388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.223388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.223388 (E_RNA)
where:
Base-Base interactions energy: -578.050
where: short stacking energy: -257.614
Base-Backbone interact. energy: -0.448
local terms energy: -263.725013
where:
bonds (distance) C4'-P energy: -50.364
bonds (distance) P-C4' energy: -54.204
flat angles C4'-P-C4' energy: -49.276
flat angles P-C4'-P energy: -38.656
tors. eta vs tors. theta energy: -71.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -809.007635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.007635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.007635 (E_RNA)
where:
Base-Base interactions energy: -537.093
where: short stacking energy: -233.187
Base-Backbone interact. energy: 0.688
local terms energy: -272.603436
where:
bonds (distance) C4'-P energy: -46.525
bonds (distance) P-C4' energy: -58.273
flat angles C4'-P-C4' energy: -62.532
flat angles P-C4'-P energy: -39.204
tors. eta vs tors. theta energy: -66.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -707.021211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.021211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.021211 (E_RNA)
where:
Base-Base interactions energy: -464.756
where: short stacking energy: -211.426
Base-Backbone interact. energy: -1.807
local terms energy: -240.457801
where:
bonds (distance) C4'-P energy: -43.116
bonds (distance) P-C4' energy: -56.008
flat angles C4'-P-C4' energy: -48.306
flat angles P-C4'-P energy: -31.255
tors. eta vs tors. theta energy: -61.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -660.141679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.141679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.141679 (E_RNA)
where:
Base-Base interactions energy: -442.006
where: short stacking energy: -186.481
Base-Backbone interact. energy: 0.517
local terms energy: -218.652275
where:
bonds (distance) C4'-P energy: -45.432
bonds (distance) P-C4' energy: -55.013
flat angles C4'-P-C4' energy: -44.913
flat angles P-C4'-P energy: -42.386
tors. eta vs tors. theta energy: -30.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -653.634629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.634629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.634629 (E_RNA)
where:
Base-Base interactions energy: -431.294
where: short stacking energy: -187.722
Base-Backbone interact. energy: -1.687
local terms energy: -220.654071
where:
bonds (distance) C4'-P energy: -56.248
bonds (distance) P-C4' energy: -36.408
flat angles C4'-P-C4' energy: -47.729
flat angles P-C4'-P energy: -42.695
tors. eta vs tors. theta energy: -37.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -587.709874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.709874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.709874 (E_RNA)
where:
Base-Base interactions energy: -369.511
where: short stacking energy: -180.176
Base-Backbone interact. energy: -0.665
local terms energy: -217.533664
where:
bonds (distance) C4'-P energy: -40.694
bonds (distance) P-C4' energy: -45.847
flat angles C4'-P-C4' energy: -45.560
flat angles P-C4'-P energy: -36.505
tors. eta vs tors. theta energy: -48.928
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: 10
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -326.670550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.670550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.670550 (E_RNA)
where:
Base-Base interactions energy: -157.303
where: short stacking energy: -86.957
Base-Backbone interact. energy: 0.146
local terms energy: -169.513370
where:
bonds (distance) C4'-P energy: -37.329
bonds (distance) P-C4' energy: -49.783
flat angles C4'-P-C4' energy: -44.317
flat angles P-C4'-P energy: -30.562
tors. eta vs tors. theta energy: -7.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -276.078762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.078762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.078762 (E_RNA)
where:
Base-Base interactions energy: -133.969
where: short stacking energy: -71.350
Base-Backbone interact. energy: -0.080
local terms energy: -142.030296
where:
bonds (distance) C4'-P energy: -40.948
bonds (distance) P-C4' energy: -48.920
flat angles C4'-P-C4' energy: -38.148
flat angles P-C4'-P energy: -24.997
tors. eta vs tors. theta energy: 10.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -896.717118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.717118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.717118 (E_RNA)
where:
Base-Base interactions energy: -622.195
where: short stacking energy: -272.431
Base-Backbone interact. energy: -0.078
local terms energy: -274.444864
where:
bonds (distance) C4'-P energy: -50.523
bonds (distance) P-C4' energy: -55.177
flat angles C4'-P-C4' energy: -58.018
flat angles P-C4'-P energy: -37.736
tors. eta vs tors. theta energy: -72.991
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: 230
Temperature: 0.950000
Total energy: -893.057458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.057458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.057458 (E_RNA)
where:
Base-Base interactions energy: -630.163
where: short stacking energy: -258.117
Base-Backbone interact. energy: -0.726
local terms energy: -262.168088
where:
bonds (distance) C4'-P energy: -52.718
bonds (distance) P-C4' energy: -48.186
flat angles C4'-P-C4' energy: -59.622
flat angles P-C4'-P energy: -34.183
tors. eta vs tors. theta energy: -67.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -861.032141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.032141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.032141 (E_RNA)
where:
Base-Base interactions energy: -600.371
where: short stacking energy: -263.806
Base-Backbone interact. energy: -0.267
local terms energy: -260.394604
where:
bonds (distance) C4'-P energy: -48.053
bonds (distance) P-C4' energy: -50.056
flat angles C4'-P-C4' energy: -51.006
flat angles P-C4'-P energy: -40.183
tors. eta vs tors. theta energy: -71.096
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: 4, replica: 5
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -804.680810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.680810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.680810 (E_RNA)
where:
Base-Base interactions energy: -555.185
where: short stacking energy: -232.767
Base-Backbone interact. energy: -2.504
local terms energy: -246.991055
where:
bonds (distance) C4'-P energy: -47.382
bonds (distance) P-C4' energy: -46.179
flat angles C4'-P-C4' energy: -60.016
flat angles P-C4'-P energy: -26.549
tors. eta vs tors. theta energy: -66.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -692.162277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.162277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.162277 (E_RNA)
where:
Base-Base interactions energy: -438.491
where: short stacking energy: -195.207
Base-Backbone interact. energy: 0.908
local terms energy: -254.579668
where:
bonds (distance) C4'-P energy: -47.404
bonds (distance) P-C4' energy: -52.051
flat angles C4'-P-C4' energy: -59.242
flat angles P-C4'-P energy: -41.343
tors. eta vs tors. theta energy: -54.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -699.106099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.106099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.106099 (E_RNA)
where:
Base-Base interactions energy: -461.528
where: short stacking energy: -211.408
Base-Backbone interact. energy: 0.245
local terms energy: -237.822560
where:
bonds (distance) C4'-P energy: -46.607
bonds (distance) P-C4' energy: -50.124
flat angles C4'-P-C4' energy: -53.483
flat angles P-C4'-P energy: -35.289
tors. eta vs tors. theta energy: -52.319
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: 7, replica: 6
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -626.655719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.655719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.655719 (E_RNA)
where:
Base-Base interactions energy: -433.300
where: short stacking energy: -170.739
Base-Backbone interact. energy: 0.422
local terms energy: -193.777781
where:
bonds (distance) C4'-P energy: -39.457
bonds (distance) P-C4' energy: -47.885
flat angles C4'-P-C4' energy: -39.709
flat angles P-C4'-P energy: -30.883
tors. eta vs tors. theta energy: -35.844
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: 8
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -567.153274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.153274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.153274 (E_RNA)
where:
Base-Base interactions energy: -379.329
where: short stacking energy: -171.769
Base-Backbone interact. energy: 1.187
local terms energy: -189.011315
where:
bonds (distance) C4'-P energy: -42.793
bonds (distance) P-C4' energy: -39.931
flat angles C4'-P-C4' energy: -54.534
flat angles P-C4'-P energy: -15.987
tors. eta vs tors. theta energy: -35.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -332.400688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.400688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.400688 (E_RNA)
where:
Base-Base interactions energy: -165.960
where: short stacking energy: -100.094
Base-Backbone interact. energy: 0.864
local terms energy: -167.304738
where:
bonds (distance) C4'-P energy: -41.369
bonds (distance) P-C4' energy: -48.325
flat angles C4'-P-C4' energy: -46.155
flat angles P-C4'-P energy: -18.957
tors. eta vs tors. theta energy: -12.499
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: 9
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -280.737292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.737292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.737292 (E_RNA)
where:
Base-Base interactions energy: -135.720
where: short stacking energy: -78.392
Base-Backbone interact. energy: 3.217
local terms energy: -148.233370
where:
bonds (distance) C4'-P energy: -35.318
bonds (distance) P-C4' energy: -52.277
flat angles C4'-P-C4' energy: -43.897
flat angles P-C4'-P energy: -12.391
tors. eta vs tors. theta energy: -4.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -897.971154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.971154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.971154 (E_RNA)
where:
Base-Base interactions energy: -613.107
where: short stacking energy: -275.496
Base-Backbone interact. energy: -1.418
local terms energy: -283.446298
where:
bonds (distance) C4'-P energy: -60.954
bonds (distance) P-C4' energy: -46.399
flat angles C4'-P-C4' energy: -58.289
flat angles P-C4'-P energy: -38.715
tors. eta vs tors. theta energy: -79.088
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: 2, replica: 1
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -893.999000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.999000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.999000 (E_RNA)
where:
Base-Base interactions energy: -619.623
where: short stacking energy: -254.036
Base-Backbone interact. energy: -0.153
local terms energy: -274.223735
where:
bonds (distance) C4'-P energy: -50.949
bonds (distance) P-C4' energy: -54.122
flat angles C4'-P-C4' energy: -61.422
flat angles P-C4'-P energy: -37.766
tors. eta vs tors. theta energy: -69.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -839.377692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.377692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.377692 (E_RNA)
where:
Base-Base interactions energy: -579.421
where: short stacking energy: -242.724
Base-Backbone interact. energy: -1.367
local terms energy: -258.589756
where:
bonds (distance) C4'-P energy: -41.628
bonds (distance) P-C4' energy: -49.352
flat angles C4'-P-C4' energy: -59.645
flat angles P-C4'-P energy: -39.936
tors. eta vs tors. theta energy: -68.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -811.181929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.181929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.181929 (E_RNA)
where:
Base-Base interactions energy: -565.991
where: short stacking energy: -247.930
Base-Backbone interact. energy: -0.519
local terms energy: -244.671295
where:
bonds (distance) C4'-P energy: -46.135
bonds (distance) P-C4' energy: -44.200
flat angles C4'-P-C4' energy: -51.590
flat angles P-C4'-P energy: -33.680
tors. eta vs tors. theta energy: -69.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -708.445864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.445864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.445864 (E_RNA)
where:
Base-Base interactions energy: -467.454
where: short stacking energy: -206.504
Base-Backbone interact. energy: 6.088
local terms energy: -247.079654
where:
bonds (distance) C4'-P energy: -44.088
bonds (distance) P-C4' energy: -51.642
flat angles C4'-P-C4' energy: -63.338
flat angles P-C4'-P energy: -36.376
tors. eta vs tors. theta energy: -51.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -699.823045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.823045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.823045 (E_RNA)
where:
Base-Base interactions energy: -464.707
where: short stacking energy: -183.959
Base-Backbone interact. energy: 0.909
local terms energy: -236.025045
where:
bonds (distance) C4'-P energy: -46.413
bonds (distance) P-C4' energy: -50.124
flat angles C4'-P-C4' energy: -55.728
flat angles P-C4'-P energy: -33.643
tors. eta vs tors. theta energy: -50.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -649.370879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.370879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.370879 (E_RNA)
where:
Base-Base interactions energy: -425.309
where: short stacking energy: -173.813
Base-Backbone interact. energy: -0.824
local terms energy: -223.237862
where:
bonds (distance) C4'-P energy: -44.958
bonds (distance) P-C4' energy: -59.220
flat angles C4'-P-C4' energy: -43.814
flat angles P-C4'-P energy: -33.601
tors. eta vs tors. theta energy: -41.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -591.033743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.033743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.033743 (E_RNA)
where:
Base-Base interactions energy: -381.400
where: short stacking energy: -179.212
Base-Backbone interact. energy: 2.525
local terms energy: -212.159017
where:
bonds (distance) C4'-P energy: -52.961
bonds (distance) P-C4' energy: -42.595
flat angles C4'-P-C4' energy: -49.519
flat angles P-C4'-P energy: -23.509
tors. eta vs tors. theta energy: -43.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -336.122441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.122441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.122441 (E_RNA)
where:
Base-Base interactions energy: -155.728
where: short stacking energy: -84.109
Base-Backbone interact. energy: -0.843
local terms energy: -179.551777
where:
bonds (distance) C4'-P energy: -44.418
bonds (distance) P-C4' energy: -55.733
flat angles C4'-P-C4' energy: -41.518
flat angles P-C4'-P energy: -28.737
tors. eta vs tors. theta energy: -9.145
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: 10, replica: 9
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -283.912702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.912702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.912702 (E_RNA)
where:
Base-Base interactions energy: -139.168
where: short stacking energy: -78.468
Base-Backbone interact. energy: -0.335
local terms energy: -144.409612
where:
bonds (distance) C4'-P energy: -21.931
bonds (distance) P-C4' energy: -50.138
flat angles C4'-P-C4' energy: -40.341
flat angles P-C4'-P energy: -28.686
tors. eta vs tors. theta energy: -3.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -898.924052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.924052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.924052 (E_RNA)
where:
Base-Base interactions energy: -612.190
where: short stacking energy: -279.342
Base-Backbone interact. energy: -1.890
local terms energy: -284.843611
where:
bonds (distance) C4'-P energy: -54.026
bonds (distance) P-C4' energy: -47.380
flat angles C4'-P-C4' energy: -59.929
flat angles P-C4'-P energy: -44.360
tors. eta vs tors. theta energy: -79.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -885.376674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.376674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.376674 (E_RNA)
where:
Base-Base interactions energy: -602.865
where: short stacking energy: -256.508
Base-Backbone interact. energy: -1.461
local terms energy: -281.051192
where:
bonds (distance) C4'-P energy: -52.740
bonds (distance) P-C4' energy: -57.073
flat angles C4'-P-C4' energy: -63.211
flat angles P-C4'-P energy: -35.131
tors. eta vs tors. theta energy: -72.897
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: 5
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -863.022296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.022296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.022296 (E_RNA)
where:
Base-Base interactions energy: -605.258
where: short stacking energy: -272.872
Base-Backbone interact. energy: -0.944
local terms energy: -256.819863
where:
bonds (distance) C4'-P energy: -42.858
bonds (distance) P-C4' energy: -44.228
flat angles C4'-P-C4' energy: -55.889
flat angles P-C4'-P energy: -40.442
tors. eta vs tors. theta energy: -73.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -822.058083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.058083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.058083 (E_RNA)
where:
Base-Base interactions energy: -561.548
where: short stacking energy: -240.733
Base-Backbone interact. energy: -2.363
local terms energy: -258.147827
where:
bonds (distance) C4'-P energy: -46.803
bonds (distance) P-C4' energy: -52.082
flat angles C4'-P-C4' energy: -58.512
flat angles P-C4'-P energy: -35.012
tors. eta vs tors. theta energy: -65.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -727.852338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.852338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.852338 (E_RNA)
where:
Base-Base interactions energy: -495.071
where: short stacking energy: -206.578
Base-Backbone interact. energy: -0.735
local terms energy: -232.046594
where:
bonds (distance) C4'-P energy: -42.430
bonds (distance) P-C4' energy: -48.387
flat angles C4'-P-C4' energy: -49.216
flat angles P-C4'-P energy: -36.727
tors. eta vs tors. theta energy: -55.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -697.656286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.656286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.656286 (E_RNA)
where:
Base-Base interactions energy: -477.029
where: short stacking energy: -200.475
Base-Backbone interact. energy: -0.690
local terms energy: -219.937186
where:
bonds (distance) C4'-P energy: -42.834
bonds (distance) P-C4' energy: -48.380
flat angles C4'-P-C4' energy: -51.952
flat angles P-C4'-P energy: -27.357
tors. eta vs tors. theta energy: -49.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -660.044360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.044360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.044360 (E_RNA)
where:
Base-Base interactions energy: -447.404
where: short stacking energy: -202.224
Base-Backbone interact. energy: -0.541
local terms energy: -212.099611
where:
bonds (distance) C4'-P energy: -35.670
bonds (distance) P-C4' energy: -41.706
flat angles C4'-P-C4' energy: -47.281
flat angles P-C4'-P energy: -34.979
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: 8, replica: 8
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -602.893113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.893113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.893113 (E_RNA)
where:
Base-Base interactions energy: -396.147
where: short stacking energy: -179.812
Base-Backbone interact. energy: 0.534
local terms energy: -207.280208
where:
bonds (distance) C4'-P energy: -45.169
bonds (distance) P-C4' energy: -46.872
flat angles C4'-P-C4' energy: -46.268
flat angles P-C4'-P energy: -30.096
tors. eta vs tors. theta energy: -38.875
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: 10
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -339.572955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.572955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.572955 (E_RNA)
where:
Base-Base interactions energy: -155.850
where: short stacking energy: -104.038
Base-Backbone interact. energy: 0.645
local terms energy: -184.367062
where:
bonds (distance) C4'-P energy: -45.588
bonds (distance) P-C4' energy: -47.054
flat angles C4'-P-C4' energy: -39.814
flat angles P-C4'-P energy: -28.641
tors. eta vs tors. theta energy: -23.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -308.880747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.880747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.880747 (E_RNA)
where:
Base-Base interactions energy: -158.782
where: short stacking energy: -85.339
Base-Backbone interact. energy: 0.693
local terms energy: -150.792205
where:
bonds (distance) C4'-P energy: -45.887
bonds (distance) P-C4' energy: -46.462
flat angles C4'-P-C4' energy: -32.610
flat angles P-C4'-P energy: -19.882
tors. eta vs tors. theta energy: -5.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -892.090424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.090424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.090424 (E_RNA)
where:
Base-Base interactions energy: -626.184
where: short stacking energy: -277.038
Base-Backbone interact. energy: -1.079
local terms energy: -264.826678
where:
bonds (distance) C4'-P energy: -45.345
bonds (distance) P-C4' energy: -47.336
flat angles C4'-P-C4' energy: -51.773
flat angles P-C4'-P energy: -43.851
tors. eta vs tors. theta energy: -76.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -893.085489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.085489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.085489 (E_RNA)
where:
Base-Base interactions energy: -621.613
where: short stacking energy: -267.064
Base-Backbone interact. energy: -0.643
local terms energy: -270.830241
where:
bonds (distance) C4'-P energy: -49.665
bonds (distance) P-C4' energy: -49.523
flat angles C4'-P-C4' energy: -58.697
flat angles P-C4'-P energy: -38.208
tors. eta vs tors. theta energy: -74.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -837.842923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.842923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.842923 (E_RNA)
where:
Base-Base interactions energy: -579.148
where: short stacking energy: -253.566
Base-Backbone interact. energy: -0.937
local terms energy: -257.757955
where:
bonds (distance) C4'-P energy: -48.589
bonds (distance) P-C4' energy: -49.573
flat angles C4'-P-C4' energy: -56.417
flat angles P-C4'-P energy: -39.262
tors. eta vs tors. theta energy: -63.917
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: 4
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -826.549682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.549682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.549682 (E_RNA)
where:
Base-Base interactions energy: -557.060
where: short stacking energy: -233.747
Base-Backbone interact. energy: -2.224
local terms energy: -267.265925
where:
bonds (distance) C4'-P energy: -52.688
bonds (distance) P-C4' energy: -50.395
flat angles C4'-P-C4' energy: -57.537
flat angles P-C4'-P energy: -40.190
tors. eta vs tors. theta energy: -66.456
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: 5, replica: 7
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -745.815549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.815549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.815549 (E_RNA)
where:
Base-Base interactions energy: -506.187
where: short stacking energy: -224.571
Base-Backbone interact. energy: -0.759
local terms energy: -238.869393
where:
bonds (distance) C4'-P energy: -46.864
bonds (distance) P-C4' energy: -48.904
flat angles C4'-P-C4' energy: -54.138
flat angles P-C4'-P energy: -26.078
tors. eta vs tors. theta energy: -62.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -672.261394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.261394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.261394 (E_RNA)
where:
Base-Base interactions energy: -446.116
where: short stacking energy: -206.202
Base-Backbone interact. energy: -0.570
local terms energy: -225.574942
where:
bonds (distance) C4'-P energy: -51.321
bonds (distance) P-C4' energy: -37.813
flat angles C4'-P-C4' energy: -56.037
flat angles P-C4'-P energy: -28.567
tors. eta vs tors. theta energy: -51.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -624.693143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.693143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.693143 (E_RNA)
where:
Base-Base interactions energy: -415.861
where: short stacking energy: -184.872
Base-Backbone interact. energy: -0.044
local terms energy: -208.788200
where:
bonds (distance) C4'-P energy: -33.009
bonds (distance) P-C4' energy: -52.979
flat angles C4'-P-C4' energy: -50.158
flat angles P-C4'-P energy: -27.101
tors. eta vs tors. theta energy: -45.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -578.459949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.459949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.459949 (E_RNA)
where:
Base-Base interactions energy: -404.476
where: short stacking energy: -174.373
Base-Backbone interact. energy: 5.584
local terms energy: -179.568176
where:
bonds (distance) C4'-P energy: -40.903
bonds (distance) P-C4' energy: -41.467
flat angles C4'-P-C4' energy: -47.670
flat angles P-C4'-P energy: -27.744
tors. eta vs tors. theta energy: -21.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -344.226101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.226101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.226101 (E_RNA)
where:
Base-Base interactions energy: -176.557
where: short stacking energy: -100.334
Base-Backbone interact. energy: 1.074
local terms energy: -168.743088
where:
bonds (distance) C4'-P energy: -44.249
bonds (distance) P-C4' energy: -43.404
flat angles C4'-P-C4' energy: -48.517
flat angles P-C4'-P energy: -20.356
tors. eta vs tors. theta energy: -12.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -305.862523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.862523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.862523 (E_RNA)
where:
Base-Base interactions energy: -156.545
where: short stacking energy: -94.312
Base-Backbone interact. energy: -1.401
local terms energy: -147.916229
where:
bonds (distance) C4'-P energy: -43.950
bonds (distance) P-C4' energy: -47.211
flat angles C4'-P-C4' energy: -36.843
flat angles P-C4'-P energy: -17.167
tors. eta vs tors. theta energy: -2.745
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: 1
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -931.450076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.450076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.450076 (E_RNA)
where:
Base-Base interactions energy: -658.064
where: short stacking energy: -266.085
Base-Backbone interact. energy: 2.795
local terms energy: -276.181271
where:
bonds (distance) C4'-P energy: -55.338
bonds (distance) P-C4' energy: -50.188
flat angles C4'-P-C4' energy: -60.871
flat angles P-C4'-P energy: -39.518
tors. eta vs tors. theta energy: -70.267
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: 3
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -855.390649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.390649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.390649 (E_RNA)
where:
Base-Base interactions energy: -588.911
where: short stacking energy: -261.105
Base-Backbone interact. energy: -1.023
local terms energy: -265.456181
where:
bonds (distance) C4'-P energy: -50.900
bonds (distance) P-C4' energy: -48.296
flat angles C4'-P-C4' energy: -56.001
flat angles P-C4'-P energy: -42.020
tors. eta vs tors. theta energy: -68.240
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: 3, replica: 4
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -858.133792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.133792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.133792 (E_RNA)
where:
Base-Base interactions energy: -587.091
where: short stacking energy: -251.585
Base-Backbone interact. energy: 0.449
local terms energy: -271.491668
where:
bonds (distance) C4'-P energy: -53.388
bonds (distance) P-C4' energy: -47.738
flat angles C4'-P-C4' energy: -54.609
flat angles P-C4'-P energy: -42.908
tors. eta vs tors. theta energy: -72.848
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: 5
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -831.949006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.949006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.949006 (E_RNA)
where:
Base-Base interactions energy: -572.278
where: short stacking energy: -230.348
Base-Backbone interact. energy: -0.385
local terms energy: -259.285722
where:
bonds (distance) C4'-P energy: -51.074
bonds (distance) P-C4' energy: -49.568
flat angles C4'-P-C4' energy: -57.653
flat angles P-C4'-P energy: -35.166
tors. eta vs tors. theta energy: -65.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -712.817761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.817761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.817761 (E_RNA)
where:
Base-Base interactions energy: -485.565
where: short stacking energy: -217.757
Base-Backbone interact. energy: -1.024
local terms energy: -226.228818
where:
bonds (distance) C4'-P energy: -40.002
bonds (distance) P-C4' energy: -53.232
flat angles C4'-P-C4' energy: -53.687
flat angles P-C4'-P energy: -28.877
tors. eta vs tors. theta energy: -50.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -679.350180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.350180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.350180 (E_RNA)
where:
Base-Base interactions energy: -450.429
where: short stacking energy: -203.833
Base-Backbone interact. energy: 2.012
local terms energy: -230.932646
where:
bonds (distance) C4'-P energy: -43.050
bonds (distance) P-C4' energy: -50.927
flat angles C4'-P-C4' energy: -51.866
flat angles P-C4'-P energy: -33.394
tors. eta vs tors. theta energy: -51.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -601.658433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.658433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.658433 (E_RNA)
where:
Base-Base interactions energy: -399.583
where: short stacking energy: -180.780
Base-Backbone interact. energy: 0.070
local terms energy: -202.145466
where:
bonds (distance) C4'-P energy: -42.516
bonds (distance) P-C4' energy: -46.199
flat angles C4'-P-C4' energy: -42.880
flat angles P-C4'-P energy: -30.625
tors. eta vs tors. theta energy: -39.926
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: 2
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -604.905503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.905503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.905503 (E_RNA)
where:
Base-Base interactions energy: -393.259
where: short stacking energy: -173.109
Base-Backbone interact. energy: -2.661
local terms energy: -208.985703
where:
bonds (distance) C4'-P energy: -45.393
bonds (distance) P-C4' energy: -38.648
flat angles C4'-P-C4' energy: -52.253
flat angles P-C4'-P energy: -31.784
tors. eta vs tors. theta energy: -40.908
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: 9, replica: 10
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -303.214622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.214622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.214622 (E_RNA)
where:
Base-Base interactions energy: -154.591
where: short stacking energy: -81.503
Base-Backbone interact. energy: 0.206
local terms energy: -148.829210
where:
bonds (distance) C4'-P energy: -32.025
bonds (distance) P-C4' energy: -44.590
flat angles C4'-P-C4' energy: -44.259
flat angles P-C4'-P energy: -31.656
tors. eta vs tors. theta energy: 3.700
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: 9
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -291.485758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.485758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.485758 (E_RNA)
where:
Base-Base interactions energy: -133.160
where: short stacking energy: -75.788
Base-Backbone interact. energy: 1.696
local terms energy: -160.021867
where:
bonds (distance) C4'-P energy: -44.132
bonds (distance) P-C4' energy: -50.162
flat angles C4'-P-C4' energy: -31.006
flat angles P-C4'-P energy: -29.708
tors. eta vs tors. theta energy: -5.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -918.495053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.495053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.495053 (E_RNA)
where:
Base-Base interactions energy: -633.498
where: short stacking energy: -268.171
Base-Backbone interact. energy: 0.663
local terms energy: -285.660186
where:
bonds (distance) C4'-P energy: -50.239
bonds (distance) P-C4' energy: -58.386
flat angles C4'-P-C4' energy: -59.430
flat angles P-C4'-P energy: -42.646
tors. eta vs tors. theta energy: -74.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -876.422094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.422094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.422094 (E_RNA)
where:
Base-Base interactions energy: -595.153
where: short stacking energy: -261.012
Base-Backbone interact. energy: -1.056
local terms energy: -280.212670
where:
bonds (distance) C4'-P energy: -52.006
bonds (distance) P-C4' energy: -59.667
flat angles C4'-P-C4' energy: -61.188
flat angles P-C4'-P energy: -39.996
tors. eta vs tors. theta energy: -67.357
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: 3
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -863.006314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.006314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.006314 (E_RNA)
where:
Base-Base interactions energy: -613.389
where: short stacking energy: -249.277
Base-Backbone interact. energy: -1.954
local terms energy: -247.662611
where:
bonds (distance) C4'-P energy: -41.779
bonds (distance) P-C4' energy: -47.256
flat angles C4'-P-C4' energy: -51.226
flat angles P-C4'-P energy: -41.977
tors. eta vs tors. theta energy: -65.425
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: 235
Temperature: 1.050000
Total energy: -829.300545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.300545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.300545 (E_RNA)
where:
Base-Base interactions energy: -564.104
where: short stacking energy: -253.830
Base-Backbone interact. energy: 1.158
local terms energy: -266.354636
where:
bonds (distance) C4'-P energy: -50.737
bonds (distance) P-C4' energy: -50.172
flat angles C4'-P-C4' energy: -58.379
flat angles P-C4'-P energy: -41.044
tors. eta vs tors. theta energy: -66.023
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: 7
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -684.773304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.773304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.773304 (E_RNA)
where:
Base-Base interactions energy: -440.718
where: short stacking energy: -196.131
Base-Backbone interact. energy: -1.259
local terms energy: -242.796281
where:
bonds (distance) C4'-P energy: -48.905
bonds (distance) P-C4' energy: -55.403
flat angles C4'-P-C4' energy: -50.547
flat angles P-C4'-P energy: -43.941
tors. eta vs tors. theta energy: -44.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -686.234388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.234388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.234388 (E_RNA)
where:
Base-Base interactions energy: -463.528
where: short stacking energy: -200.141
Base-Backbone interact. energy: -1.207
local terms energy: -221.498918
where:
bonds (distance) C4'-P energy: -47.141
bonds (distance) P-C4' energy: -52.291
flat angles C4'-P-C4' energy: -49.380
flat angles P-C4'-P energy: -28.752
tors. eta vs tors. theta energy: -43.935
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: 8
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -610.968501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.968501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.968501 (E_RNA)
where:
Base-Base interactions energy: -398.988
where: short stacking energy: -198.210
Base-Backbone interact. energy: 0.760
local terms energy: -212.740553
where:
bonds (distance) C4'-P energy: -48.761
bonds (distance) P-C4' energy: -46.995
flat angles C4'-P-C4' energy: -43.606
flat angles P-C4'-P energy: -33.048
tors. eta vs tors. theta energy: -40.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -536.727548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.727548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.727548 (E_RNA)
where:
Base-Base interactions energy: -352.460
where: short stacking energy: -150.568
Base-Backbone interact. energy: 1.130
local terms energy: -185.398401
where:
bonds (distance) C4'-P energy: -42.841
bonds (distance) P-C4' energy: -54.494
flat angles C4'-P-C4' energy: -44.080
flat angles P-C4'-P energy: -16.958
tors. eta vs tors. theta energy: -27.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -329.094060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.094060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.094060 (E_RNA)
where:
Base-Base interactions energy: -177.814
where: short stacking energy: -92.137
Base-Backbone interact. energy: -0.974
local terms energy: -150.306086
where:
bonds (distance) C4'-P energy: -44.109
bonds (distance) P-C4' energy: -51.574
flat angles C4'-P-C4' energy: -32.032
flat angles P-C4'-P energy: -16.886
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: 10, replica: 9
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -281.255602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.255602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.255602 (E_RNA)
where:
Base-Base interactions energy: -133.026
where: short stacking energy: -81.444
Base-Backbone interact. energy: 0.428
local terms energy: -148.658110
where:
bonds (distance) C4'-P energy: -41.341
bonds (distance) P-C4' energy: -47.558
flat angles C4'-P-C4' energy: -35.554
flat angles P-C4'-P energy: -29.399
tors. eta vs tors. theta energy: 5.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -898.763939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.763939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.763939 (E_RNA)
where:
Base-Base interactions energy: -629.651
where: short stacking energy: -273.428
Base-Backbone interact. energy: 1.801
local terms energy: -270.914662
where:
bonds (distance) C4'-P energy: -50.261
bonds (distance) P-C4' energy: -51.285
flat angles C4'-P-C4' energy: -58.678
flat angles P-C4'-P energy: -37.399
tors. eta vs tors. theta energy: -73.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -910.354178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.354178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.354178 (E_RNA)
where:
Base-Base interactions energy: -634.474
where: short stacking energy: -266.265
Base-Backbone interact. energy: -0.526
local terms energy: -275.353783
where:
bonds (distance) C4'-P energy: -56.811
bonds (distance) P-C4' energy: -49.974
flat angles C4'-P-C4' energy: -54.835
flat angles P-C4'-P energy: -40.504
tors. eta vs tors. theta energy: -73.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -882.284244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.284244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.284244 (E_RNA)
where:
Base-Base interactions energy: -609.799
where: short stacking energy: -254.487
Base-Backbone interact. energy: 0.494
local terms energy: -272.979035
where:
bonds (distance) C4'-P energy: -53.409
bonds (distance) P-C4' energy: -53.326
flat angles C4'-P-C4' energy: -62.084
flat angles P-C4'-P energy: -33.676
tors. eta vs tors. theta energy: -70.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -806.500899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.500899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.500899 (E_RNA)
where:
Base-Base interactions energy: -560.669
where: short stacking energy: -242.153
Base-Backbone interact. energy: -0.738
local terms energy: -245.094219
where:
bonds (distance) C4'-P energy: -45.941
bonds (distance) P-C4' energy: -47.219
flat angles C4'-P-C4' energy: -55.609
flat angles P-C4'-P energy: -33.250
tors. eta vs tors. theta energy: -63.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -712.756918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.756918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.756918 (E_RNA)
where:
Base-Base interactions energy: -481.703
where: short stacking energy: -214.959
Base-Backbone interact. energy: -2.116
local terms energy: -228.938013
where:
bonds (distance) C4'-P energy: -48.521
bonds (distance) P-C4' energy: -54.785
flat angles C4'-P-C4' energy: -48.351
flat angles P-C4'-P energy: -23.329
tors. eta vs tors. theta energy: -53.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -683.764146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.764146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.764146 (E_RNA)
where:
Base-Base interactions energy: -471.917
where: short stacking energy: -215.894
Base-Backbone interact. energy: -0.692
local terms energy: -211.154863
where:
bonds (distance) C4'-P energy: -48.458
bonds (distance) P-C4' energy: -35.651
flat angles C4'-P-C4' energy: -50.467
flat angles P-C4'-P energy: -26.685
tors. eta vs tors. theta energy: -49.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -618.981561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.981561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.981561 (E_RNA)
where:
Base-Base interactions energy: -408.273
where: short stacking energy: -186.286
Base-Backbone interact. energy: -0.871
local terms energy: -209.837209
where:
bonds (distance) C4'-P energy: -34.258
bonds (distance) P-C4' energy: -36.403
flat angles C4'-P-C4' energy: -56.119
flat angles P-C4'-P energy: -36.736
tors. eta vs tors. theta energy: -46.322
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: 8, replica: 2
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -555.893734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.893734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.893734 (E_RNA)
where:
Base-Base interactions energy: -369.471
where: short stacking energy: -168.006
Base-Backbone interact. energy: 4.536
local terms energy: -190.958330
where:
bonds (distance) C4'-P energy: -35.752
bonds (distance) P-C4' energy: -48.005
flat angles C4'-P-C4' energy: -46.735
flat angles P-C4'-P energy: -29.565
tors. eta vs tors. theta energy: -30.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -343.867711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.867711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.867711 (E_RNA)
where:
Base-Base interactions energy: -173.750
where: short stacking energy: -110.494
Base-Backbone interact. energy: -1.650
local terms energy: -168.468024
where:
bonds (distance) C4'-P energy: -37.620
bonds (distance) P-C4' energy: -44.229
flat angles C4'-P-C4' energy: -43.427
flat angles P-C4'-P energy: -35.824
tors. eta vs tors. theta energy: -7.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -282.267447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.267447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.267447 (E_RNA)
where:
Base-Base interactions energy: -132.243
where: short stacking energy: -77.729
Base-Backbone interact. energy: -0.657
local terms energy: -149.367854
where:
bonds (distance) C4'-P energy: -38.506
bonds (distance) P-C4' energy: -48.307
flat angles C4'-P-C4' energy: -40.737
flat angles P-C4'-P energy: -17.238
tors. eta vs tors. theta energy: -4.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -906.414871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.414871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.414871 (E_RNA)
where:
Base-Base interactions energy: -627.248
where: short stacking energy: -280.582
Base-Backbone interact. energy: -1.478
local terms energy: -277.689012
where:
bonds (distance) C4'-P energy: -53.544
bonds (distance) P-C4' energy: -52.599
flat angles C4'-P-C4' energy: -58.014
flat angles P-C4'-P energy: -39.127
tors. eta vs tors. theta energy: -74.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -902.455509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.455509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.455509 (E_RNA)
where:
Base-Base interactions energy: -607.527
where: short stacking energy: -269.130
Base-Backbone interact. energy: -2.090
local terms energy: -292.839420
where:
bonds (distance) C4'-P energy: -56.830
bonds (distance) P-C4' energy: -51.094
flat angles C4'-P-C4' energy: -59.062
flat angles P-C4'-P energy: -45.937
tors. eta vs tors. theta energy: -79.917
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: 3
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -870.621531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.621531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.621531 (E_RNA)
where:
Base-Base interactions energy: -596.329
where: short stacking energy: -255.297
Base-Backbone interact. energy: 0.798
local terms energy: -275.089814
where:
bonds (distance) C4'-P energy: -57.803
bonds (distance) P-C4' energy: -58.346
flat angles C4'-P-C4' energy: -51.406
flat angles P-C4'-P energy: -36.685
tors. eta vs tors. theta energy: -70.850
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: 5
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -825.868204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.868204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.868204 (E_RNA)
where:
Base-Base interactions energy: -558.407
where: short stacking energy: -251.644
Base-Backbone interact. energy: -3.084
local terms energy: -264.377310
where:
bonds (distance) C4'-P energy: -51.922
bonds (distance) P-C4' energy: -53.737
flat angles C4'-P-C4' energy: -59.465
flat angles P-C4'-P energy: -32.693
tors. eta vs tors. theta energy: -66.560
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: 5, replica: 7
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -714.863602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.863602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.863602 (E_RNA)
where:
Base-Base interactions energy: -473.620
where: short stacking energy: -213.318
Base-Backbone interact. energy: 1.670
local terms energy: -242.914513
where:
bonds (distance) C4'-P energy: -41.974
bonds (distance) P-C4' energy: -54.964
flat angles C4'-P-C4' energy: -55.215
flat angles P-C4'-P energy: -37.099
tors. eta vs tors. theta energy: -53.663
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: 6
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -646.286855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.286855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.286855 (E_RNA)
where:
Base-Base interactions energy: -426.790
where: short stacking energy: -174.961
Base-Backbone interact. energy: 4.026
local terms energy: -223.522636
where:
bonds (distance) C4'-P energy: -51.098
bonds (distance) P-C4' energy: -50.036
flat angles C4'-P-C4' energy: -44.275
flat angles P-C4'-P energy: -35.701
tors. eta vs tors. theta energy: -42.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -599.212071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.212071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.212071 (E_RNA)
where:
Base-Base interactions energy: -400.194
where: short stacking energy: -184.356
Base-Backbone interact. energy: -1.069
local terms energy: -197.949414
where:
bonds (distance) C4'-P energy: -40.553
bonds (distance) P-C4' energy: -44.959
flat angles C4'-P-C4' energy: -46.206
flat angles P-C4'-P energy: -28.737
tors. eta vs tors. theta energy: -37.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -592.502828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.502828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.502828 (E_RNA)
where:
Base-Base interactions energy: -387.406
where: short stacking energy: -183.346
Base-Backbone interact. energy: 0.245
local terms energy: -205.342505
where:
bonds (distance) C4'-P energy: -56.295
bonds (distance) P-C4' energy: -42.511
flat angles C4'-P-C4' energy: -49.341
flat angles P-C4'-P energy: -23.634
tors. eta vs tors. theta energy: -33.562
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: 10
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -330.768175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.768175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.768175 (E_RNA)
where:
Base-Base interactions energy: -164.812
where: short stacking energy: -118.486
Base-Backbone interact. energy: -0.938
local terms energy: -165.018095
where:
bonds (distance) C4'-P energy: -48.077
bonds (distance) P-C4' energy: -44.605
flat angles C4'-P-C4' energy: -39.098
flat angles P-C4'-P energy: -18.409
tors. eta vs tors. theta energy: -14.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -297.082276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.082276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.082276 (E_RNA)
where:
Base-Base interactions energy: -136.227
where: short stacking energy: -90.047
Base-Backbone interact. energy: 0.496
local terms energy: -161.351645
where:
bonds (distance) C4'-P energy: -46.166
bonds (distance) P-C4' energy: -44.236
flat angles C4'-P-C4' energy: -36.674
flat angles P-C4'-P energy: -24.444
tors. eta vs tors. theta energy: -9.831
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: 4
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -909.757776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.757776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.757776 (E_RNA)
where:
Base-Base interactions energy: -626.250
where: short stacking energy: -278.533
Base-Backbone interact. energy: -1.709
local terms energy: -281.798463
where:
bonds (distance) C4'-P energy: -44.742
bonds (distance) P-C4' energy: -54.924
flat angles C4'-P-C4' energy: -62.143
flat angles P-C4'-P energy: -43.818
tors. eta vs tors. theta energy: -76.171
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: 1
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -898.012536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.012536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.012536 (E_RNA)
where:
Base-Base interactions energy: -618.606
where: short stacking energy: -279.675
Base-Backbone interact. energy: -1.595
local terms energy: -277.810740
where:
bonds (distance) C4'-P energy: -46.781
bonds (distance) P-C4' energy: -52.747
flat angles C4'-P-C4' energy: -54.012
flat angles P-C4'-P energy: -48.305
tors. eta vs tors. theta energy: -75.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -855.173751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.173751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.173751 (E_RNA)
where:
Base-Base interactions energy: -591.171
where: short stacking energy: -260.890
Base-Backbone interact. energy: 2.439
local terms energy: -266.441868
where:
bonds (distance) C4'-P energy: -51.614
bonds (distance) P-C4' energy: -48.999
flat angles C4'-P-C4' energy: -60.682
flat angles P-C4'-P energy: -36.059
tors. eta vs tors. theta energy: -69.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -844.408234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.408234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.408234 (E_RNA)
where:
Base-Base interactions energy: -581.137
where: short stacking energy: -243.167
Base-Backbone interact. energy: -2.377
local terms energy: -260.894064
where:
bonds (distance) C4'-P energy: -41.969
bonds (distance) P-C4' energy: -53.684
flat angles C4'-P-C4' energy: -56.752
flat angles P-C4'-P energy: -38.135
tors. eta vs tors. theta energy: -70.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -739.658437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.658437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.658437 (E_RNA)
where:
Base-Base interactions energy: -507.233
where: short stacking energy: -230.694
Base-Backbone interact. energy: -0.583
local terms energy: -231.843310
where:
bonds (distance) C4'-P energy: -57.272
bonds (distance) P-C4' energy: -41.933
flat angles C4'-P-C4' energy: -47.828
flat angles P-C4'-P energy: -26.679
tors. eta vs tors. theta energy: -58.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -657.628415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.628415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.628415 (E_RNA)
where:
Base-Base interactions energy: -453.388
where: short stacking energy: -199.856
Base-Backbone interact. energy: -0.604
local terms energy: -203.636238
where:
bonds (distance) C4'-P energy: -39.010
bonds (distance) P-C4' energy: -40.152
flat angles C4'-P-C4' energy: -54.179
flat angles P-C4'-P energy: -31.814
tors. eta vs tors. theta energy: -38.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -628.837823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.837823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.837823 (E_RNA)
where:
Base-Base interactions energy: -408.721
where: short stacking energy: -187.851
Base-Backbone interact. energy: -1.418
local terms energy: -218.698831
where:
bonds (distance) C4'-P energy: -43.980
bonds (distance) P-C4' energy: -49.581
flat angles C4'-P-C4' energy: -45.131
flat angles P-C4'-P energy: -32.505
tors. eta vs tors. theta energy: -47.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -592.742693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.742693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.742693 (E_RNA)
where:
Base-Base interactions energy: -376.757
where: short stacking energy: -166.911
Base-Backbone interact. energy: -0.140
local terms energy: -215.845115
where:
bonds (distance) C4'-P energy: -32.935
bonds (distance) P-C4' energy: -52.677
flat angles C4'-P-C4' energy: -48.726
flat angles P-C4'-P energy: -34.721
tors. eta vs tors. theta energy: -46.786
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: 10
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -365.884584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.884584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.884584 (E_RNA)
where:
Base-Base interactions energy: -195.657
where: short stacking energy: -98.538
Base-Backbone interact. energy: 0.851
local terms energy: -171.078365
where:
bonds (distance) C4'-P energy: -37.965
bonds (distance) P-C4' energy: -50.423
flat angles C4'-P-C4' energy: -44.239
flat angles P-C4'-P energy: -26.001
tors. eta vs tors. theta energy: -12.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -275.749188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.749188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.749188 (E_RNA)
where:
Base-Base interactions energy: -131.114
where: short stacking energy: -86.853
Base-Backbone interact. energy: -0.614
local terms energy: -144.020682
where:
bonds (distance) C4'-P energy: -30.523
bonds (distance) P-C4' energy: -38.522
flat angles C4'-P-C4' energy: -34.821
flat angles P-C4'-P energy: -29.923
tors. eta vs tors. theta energy: -10.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -921.921406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.921406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.921406 (E_RNA)
where:
Base-Base interactions energy: -641.552
where: short stacking energy: -262.807
Base-Backbone interact. energy: 1.070
local terms energy: -281.439118
where:
bonds (distance) C4'-P energy: -52.743
bonds (distance) P-C4' energy: -53.149
flat angles C4'-P-C4' energy: -60.680
flat angles P-C4'-P energy: -43.759
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: 2, replica: 3
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -892.137775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.137775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.137775 (E_RNA)
where:
Base-Base interactions energy: -612.028
where: short stacking energy: -265.974
Base-Backbone interact. energy: -0.486
local terms energy: -279.623652
where:
bonds (distance) C4'-P energy: -44.292
bonds (distance) P-C4' energy: -54.852
flat angles C4'-P-C4' energy: -62.347
flat angles P-C4'-P energy: -45.440
tors. eta vs tors. theta energy: -72.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -866.987260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.987260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.987260 (E_RNA)
where:
Base-Base interactions energy: -585.667
where: short stacking energy: -246.216
Base-Backbone interact. energy: -3.660
local terms energy: -277.660584
where:
bonds (distance) C4'-P energy: -53.899
bonds (distance) P-C4' energy: -51.453
flat angles C4'-P-C4' energy: -63.657
flat angles P-C4'-P energy: -36.186
tors. eta vs tors. theta energy: -72.466
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: 4, replica: 5
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -863.039745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.039745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.039745 (E_RNA)
where:
Base-Base interactions energy: -593.916
where: short stacking energy: -263.447
Base-Backbone interact. energy: -1.014
local terms energy: -268.110076
where:
bonds (distance) C4'-P energy: -47.982
bonds (distance) P-C4' energy: -47.370
flat angles C4'-P-C4' energy: -61.689
flat angles P-C4'-P energy: -34.493
tors. eta vs tors. theta energy: -76.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -737.330828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.330828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.330828 (E_RNA)
where:
Base-Base interactions energy: -502.103
where: short stacking energy: -222.634
Base-Backbone interact. energy: -1.008
local terms energy: -234.219078
where:
bonds (distance) C4'-P energy: -41.330
bonds (distance) P-C4' energy: -51.125
flat angles C4'-P-C4' energy: -54.548
flat angles P-C4'-P energy: -33.948
tors. eta vs tors. theta energy: -53.268
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: 8
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -644.650582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.650582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.650582 (E_RNA)
where:
Base-Base interactions energy: -415.926
where: short stacking energy: -190.779
Base-Backbone interact. energy: -0.398
local terms energy: -228.326507
where:
bonds (distance) C4'-P energy: -49.357
bonds (distance) P-C4' energy: -52.566
flat angles C4'-P-C4' energy: -53.074
flat angles P-C4'-P energy: -34.149
tors. eta vs tors. theta energy: -39.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -619.985748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.985748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.985748 (E_RNA)
where:
Base-Base interactions energy: -385.330
where: short stacking energy: -172.473
Base-Backbone interact. energy: -0.321
local terms energy: -234.334976
where:
bonds (distance) C4'-P energy: -51.767
bonds (distance) P-C4' energy: -50.770
flat angles C4'-P-C4' energy: -56.267
flat angles P-C4'-P energy: -30.318
tors. eta vs tors. theta energy: -45.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -542.558443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.558443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.558443 (E_RNA)
where:
Base-Base interactions energy: -346.275
where: short stacking energy: -165.973
Base-Backbone interact. energy: -0.779
local terms energy: -195.504278
where:
bonds (distance) C4'-P energy: -36.285
bonds (distance) P-C4' energy: -46.282
flat angles C4'-P-C4' energy: -40.718
flat angles P-C4'-P energy: -29.650
tors. eta vs tors. theta energy: -42.570
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: 9, replica: 10
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -330.621220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.621220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.621220 (E_RNA)
where:
Base-Base interactions energy: -166.849
where: short stacking energy: -104.137
Base-Backbone interact. energy: 2.081
local terms energy: -165.853400
where:
bonds (distance) C4'-P energy: -30.511
bonds (distance) P-C4' energy: -48.065
flat angles C4'-P-C4' energy: -49.425
flat angles P-C4'-P energy: -22.428
tors. eta vs tors. theta energy: -15.425
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: 9
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -254.565658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.565658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.565658 (E_RNA)
where:
Base-Base interactions energy: -120.102
where: short stacking energy: -85.814
Base-Backbone interact. energy: -0.416
local terms energy: -134.047527
where:
bonds (distance) C4'-P energy: -37.028
bonds (distance) P-C4' energy: -44.008
flat angles C4'-P-C4' energy: -46.195
flat angles P-C4'-P energy: -19.776
tors. eta vs tors. theta energy: 12.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -910.463382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.463382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.463382 (E_RNA)
where:
Base-Base interactions energy: -630.614
where: short stacking energy: -285.973
Base-Backbone interact. energy: -1.851
local terms energy: -277.997757
where:
bonds (distance) C4'-P energy: -50.287
bonds (distance) P-C4' energy: -46.398
flat angles C4'-P-C4' energy: -59.024
flat angles P-C4'-P energy: -41.093
tors. eta vs tors. theta energy: -81.195
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: 4
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -897.275294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.275294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.275294 (E_RNA)
where:
Base-Base interactions energy: -622.199
where: short stacking energy: -259.649
Base-Backbone interact. energy: 1.265
local terms energy: -276.341235
where:
bonds (distance) C4'-P energy: -44.953
bonds (distance) P-C4' energy: -54.458
flat angles C4'-P-C4' energy: -66.622
flat angles P-C4'-P energy: -37.513
tors. eta vs tors. theta energy: -72.796
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: 1
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -864.173067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.173067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.173067 (E_RNA)
where:
Base-Base interactions energy: -600.713
where: short stacking energy: -270.841
Base-Backbone interact. energy: -0.700
local terms energy: -262.760882
where:
bonds (distance) C4'-P energy: -48.488
bonds (distance) P-C4' energy: -49.872
flat angles C4'-P-C4' energy: -51.293
flat angles P-C4'-P energy: -39.468
tors. eta vs tors. theta energy: -73.640
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: 240
Temperature: 1.050000
Total energy: -827.280114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.280114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.280114 (E_RNA)
where:
Base-Base interactions energy: -572.845
where: short stacking energy: -251.864
Base-Backbone interact. energy: -1.111
local terms energy: -253.323919
where:
bonds (distance) C4'-P energy: -44.623
bonds (distance) P-C4' energy: -53.472
flat angles C4'-P-C4' energy: -54.804
flat angles P-C4'-P energy: -36.458
tors. eta vs tors. theta energy: -63.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -728.355248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.355248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.355248 (E_RNA)
where:
Base-Base interactions energy: -506.026
where: short stacking energy: -218.148
Base-Backbone interact. energy: -1.354
local terms energy: -220.975355
where:
bonds (distance) C4'-P energy: -47.221
bonds (distance) P-C4' energy: -39.645
flat angles C4'-P-C4' energy: -47.944
flat angles P-C4'-P energy: -31.864
tors. eta vs tors. theta energy: -54.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -646.520802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.520802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.520802 (E_RNA)
where:
Base-Base interactions energy: -414.304
where: short stacking energy: -203.003
Base-Backbone interact. energy: -0.653
local terms energy: -231.563761
where:
bonds (distance) C4'-P energy: -49.634
bonds (distance) P-C4' energy: -40.697
flat angles C4'-P-C4' energy: -52.017
flat angles P-C4'-P energy: -36.413
tors. eta vs tors. theta energy: -52.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -636.662538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.662538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.662538 (E_RNA)
where:
Base-Base interactions energy: -407.902
where: short stacking energy: -198.981
Base-Backbone interact. energy: -2.986
local terms energy: -225.773996
where:
bonds (distance) C4'-P energy: -50.206
bonds (distance) P-C4' energy: -41.868
flat angles C4'-P-C4' energy: -48.373
flat angles P-C4'-P energy: -36.126
tors. eta vs tors. theta energy: -49.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -625.098102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.098102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.098102 (E_RNA)
where:
Base-Base interactions energy: -412.303
where: short stacking energy: -166.491
Base-Backbone interact. energy: -0.703
local terms energy: -212.092154
where:
bonds (distance) C4'-P energy: -42.511
bonds (distance) P-C4' energy: -42.929
flat angles C4'-P-C4' energy: -57.631
flat angles P-C4'-P energy: -31.747
tors. eta vs tors. theta energy: -37.275
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: 10
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -301.127671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.127671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.127671 (E_RNA)
where:
Base-Base interactions energy: -139.868
where: short stacking energy: -97.597
Base-Backbone interact. energy: 1.031
local terms energy: -162.290034
where:
bonds (distance) C4'-P energy: -40.353
bonds (distance) P-C4' energy: -46.109
flat angles C4'-P-C4' energy: -38.642
flat angles P-C4'-P energy: -30.507
tors. eta vs tors. theta energy: -6.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -227.862146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.862146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.862146 (E_RNA)
where:
Base-Base interactions energy: -79.601
where: short stacking energy: -61.271
Base-Backbone interact. energy: -2.018
local terms energy: -146.242956
where:
bonds (distance) C4'-P energy: -40.579
bonds (distance) P-C4' energy: -55.747
flat angles C4'-P-C4' energy: -40.567
flat angles P-C4'-P energy: -26.137
tors. eta vs tors. theta energy: 16.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -906.352715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.352715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.352715 (E_RNA)
where:
Base-Base interactions energy: -630.770
where: short stacking energy: -266.776
Base-Backbone interact. energy: -0.386
local terms energy: -275.197127
where:
bonds (distance) C4'-P energy: -46.056
bonds (distance) P-C4' energy: -65.242
flat angles C4'-P-C4' energy: -52.723
flat angles P-C4'-P energy: -38.028
tors. eta vs tors. theta energy: -73.148
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: 241
Temperature: 0.950000
Total energy: -885.644922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.644922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.644922 (E_RNA)
where:
Base-Base interactions energy: -599.958
where: short stacking energy: -250.656
Base-Backbone interact. energy: -0.612
local terms energy: -285.074110
where:
bonds (distance) C4'-P energy: -53.248
bonds (distance) P-C4' energy: -60.175
flat angles C4'-P-C4' energy: -59.371
flat angles P-C4'-P energy: -43.988
tors. eta vs tors. theta energy: -68.292
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: 1
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -854.191226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.191226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.191226 (E_RNA)
where:
Base-Base interactions energy: -575.353
where: short stacking energy: -250.812
Base-Backbone interact. energy: -1.926
local terms energy: -276.912633
where:
bonds (distance) C4'-P energy: -58.116
bonds (distance) P-C4' energy: -49.289
flat angles C4'-P-C4' energy: -58.646
flat angles P-C4'-P energy: -31.958
tors. eta vs tors. theta energy: -78.904
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: 241
Temperature: 1.050000
Total energy: -845.250549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.250549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.250549 (E_RNA)
where:
Base-Base interactions energy: -588.206
where: short stacking energy: -259.340
Base-Backbone interact. energy: -0.894
local terms energy: -256.150915
where:
bonds (distance) C4'-P energy: -50.141
bonds (distance) P-C4' energy: -47.883
flat angles C4'-P-C4' energy: -52.441
flat angles P-C4'-P energy: -34.620
tors. eta vs tors. theta energy: -71.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -761.215272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.215272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.215272 (E_RNA)
where:
Base-Base interactions energy: -519.658
where: short stacking energy: -230.271
Base-Backbone interact. energy: -0.923
local terms energy: -240.634527
where:
bonds (distance) C4'-P energy: -45.332
bonds (distance) P-C4' energy: -52.791
flat angles C4'-P-C4' energy: -46.844
flat angles P-C4'-P energy: -32.983
tors. eta vs tors. theta energy: -62.685
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: 8
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -626.489501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.489501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.489501 (E_RNA)
where:
Base-Base interactions energy: -396.794
where: short stacking energy: -185.955
Base-Backbone interact. energy: -0.552
local terms energy: -229.143946
where:
bonds (distance) C4'-P energy: -56.270
bonds (distance) P-C4' energy: -53.230
flat angles C4'-P-C4' energy: -45.191
flat angles P-C4'-P energy: -32.386
tors. eta vs tors. theta energy: -42.067
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: 2
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -635.453957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.453957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.453957 (E_RNA)
where:
Base-Base interactions energy: -415.062
where: short stacking energy: -202.946
Base-Backbone interact. energy: 3.764
local terms energy: -224.155666
where:
bonds (distance) C4'-P energy: -38.001
bonds (distance) P-C4' energy: -53.600
flat angles C4'-P-C4' energy: -50.360
flat angles P-C4'-P energy: -30.860
tors. eta vs tors. theta energy: -51.334
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: 6
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -622.441416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.441416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.441416 (E_RNA)
where:
Base-Base interactions energy: -408.566
where: short stacking energy: -179.094
Base-Backbone interact. energy: -1.435
local terms energy: -212.440624
where:
bonds (distance) C4'-P energy: -45.000
bonds (distance) P-C4' energy: -49.917
flat angles C4'-P-C4' energy: -44.988
flat angles P-C4'-P energy: -32.998
tors. eta vs tors. theta energy: -39.538
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: 9, replica: 10
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -255.768641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.768641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.768641 (E_RNA)
where:
Base-Base interactions energy: -105.969
where: short stacking energy: -82.035
Base-Backbone interact. energy: -1.147
local terms energy: -148.652917
where:
bonds (distance) C4'-P energy: -41.216
bonds (distance) P-C4' energy: -53.986
flat angles C4'-P-C4' energy: -36.994
flat angles P-C4'-P energy: -21.664
tors. eta vs tors. theta energy: 5.206
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: 9
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -209.501608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.501608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.501608 (E_RNA)
where:
Base-Base interactions energy: -90.050
where: short stacking energy: -65.217
Base-Backbone interact. energy: -1.182
local terms energy: -118.269732
where:
bonds (distance) C4'-P energy: -41.525
bonds (distance) P-C4' energy: -49.415
flat angles C4'-P-C4' energy: -31.371
flat angles P-C4'-P energy: -9.993
tors. eta vs tors. theta energy: 14.034
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: 1, replica: 3
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -900.732735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.732735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.732735 (E_RNA)
where:
Base-Base interactions energy: -621.802
where: short stacking energy: -265.200
Base-Backbone interact. energy: -1.472
local terms energy: -277.459105
where:
bonds (distance) C4'-P energy: -55.866
bonds (distance) P-C4' energy: -54.091
flat angles C4'-P-C4' energy: -57.885
flat angles P-C4'-P energy: -36.914
tors. eta vs tors. theta energy: -72.703
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: 242
Temperature: 0.950000
Total energy: -881.674916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.674916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.674916 (E_RNA)
where:
Base-Base interactions energy: -604.645
where: short stacking energy: -266.305
Base-Backbone interact. energy: -3.251
local terms energy: -273.779342
where:
bonds (distance) C4'-P energy: -50.757
bonds (distance) P-C4' energy: -47.443
flat angles C4'-P-C4' energy: -61.053
flat angles P-C4'-P energy: -38.355
tors. eta vs tors. theta energy: -76.171
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: 5
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -838.444054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.444054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.444054 (E_RNA)
where:
Base-Base interactions energy: -587.828
where: short stacking energy: -249.455
Base-Backbone interact. energy: -0.603
local terms energy: -250.012397
where:
bonds (distance) C4'-P energy: -41.308
bonds (distance) P-C4' energy: -48.493
flat angles C4'-P-C4' energy: -55.882
flat angles P-C4'-P energy: -35.864
tors. eta vs tors. theta energy: -68.466
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: 4, replica: 1
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -840.528832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.528832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.528832 (E_RNA)
where:
Base-Base interactions energy: -568.160
where: short stacking energy: -252.121
Base-Backbone interact. energy: 1.781
local terms energy: -274.149051
where:
bonds (distance) C4'-P energy: -52.168
bonds (distance) P-C4' energy: -44.388
flat angles C4'-P-C4' energy: -62.301
flat angles P-C4'-P energy: -41.865
tors. eta vs tors. theta energy: -73.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -696.583262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.583262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.583262 (E_RNA)
where:
Base-Base interactions energy: -473.705
where: short stacking energy: -210.397
Base-Backbone interact. energy: -0.088
local terms energy: -222.790345
where:
bonds (distance) C4'-P energy: -45.715
bonds (distance) P-C4' energy: -43.408
flat angles C4'-P-C4' energy: -52.775
flat angles P-C4'-P energy: -37.090
tors. eta vs tors. theta energy: -43.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -631.510120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.510120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.510120 (E_RNA)
where:
Base-Base interactions energy: -401.235
where: short stacking energy: -195.218
Base-Backbone interact. energy: -1.909
local terms energy: -228.365352
where:
bonds (distance) C4'-P energy: -47.014
bonds (distance) P-C4' energy: -53.360
flat angles C4'-P-C4' energy: -48.785
flat angles P-C4'-P energy: -32.645
tors. eta vs tors. theta energy: -46.562
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: 7, replica: 6
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -643.619857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.619857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.619857 (E_RNA)
where:
Base-Base interactions energy: -423.947
where: short stacking energy: -175.049
Base-Backbone interact. energy: -2.192
local terms energy: -217.480751
where:
bonds (distance) C4'-P energy: -40.822
bonds (distance) P-C4' energy: -54.004
flat angles C4'-P-C4' energy: -53.000
flat angles P-C4'-P energy: -31.315
tors. eta vs tors. theta energy: -38.340
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: 2
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -536.550748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.550748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.550748 (E_RNA)
where:
Base-Base interactions energy: -347.463
where: short stacking energy: -154.550
Base-Backbone interact. energy: 3.236
local terms energy: -192.323703
where:
bonds (distance) C4'-P energy: -46.012
bonds (distance) P-C4' energy: -51.705
flat angles C4'-P-C4' energy: -45.858
flat angles P-C4'-P energy: -29.515
tors. eta vs tors. theta energy: -19.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -237.544240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.544240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.544240 (E_RNA)
where:
Base-Base interactions energy: -84.120
where: short stacking energy: -70.156
Base-Backbone interact. energy: -0.819
local terms energy: -152.605365
where:
bonds (distance) C4'-P energy: -47.355
bonds (distance) P-C4' energy: -44.072
flat angles C4'-P-C4' energy: -38.301
flat angles P-C4'-P energy: -16.348
tors. eta vs tors. theta energy: -6.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -235.254100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.254100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.254100 (E_RNA)
where:
Base-Base interactions energy: -92.270
where: short stacking energy: -62.779
Base-Backbone interact. energy: -0.139
local terms energy: -142.845510
where:
bonds (distance) C4'-P energy: -30.778
bonds (distance) P-C4' energy: -49.239
flat angles C4'-P-C4' energy: -33.138
flat angles P-C4'-P energy: -31.068
tors. eta vs tors. theta energy: 1.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -902.208468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.208468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.208468 (E_RNA)
where:
Base-Base interactions energy: -623.364
where: short stacking energy: -254.723
Base-Backbone interact. energy: -2.337
local terms energy: -276.507610
where:
bonds (distance) C4'-P energy: -56.889
bonds (distance) P-C4' energy: -53.312
flat angles C4'-P-C4' energy: -58.653
flat angles P-C4'-P energy: -35.333
tors. eta vs tors. theta energy: -72.319
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: 2, replica: 4
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -883.956787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.956787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.956787 (E_RNA)
where:
Base-Base interactions energy: -613.112
where: short stacking energy: -260.178
Base-Backbone interact. energy: -1.461
local terms energy: -269.384028
where:
bonds (distance) C4'-P energy: -50.857
bonds (distance) P-C4' energy: -47.949
flat angles C4'-P-C4' energy: -60.761
flat angles P-C4'-P energy: -39.610
tors. eta vs tors. theta energy: -70.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -840.342778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.342778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.342778 (E_RNA)
where:
Base-Base interactions energy: -578.305
where: short stacking energy: -255.398
Base-Backbone interact. energy: -0.828
local terms energy: -261.210556
where:
bonds (distance) C4'-P energy: -49.753
bonds (distance) P-C4' energy: -56.841
flat angles C4'-P-C4' energy: -47.006
flat angles P-C4'-P energy: -41.950
tors. eta vs tors. theta energy: -65.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -813.639232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.639232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.639232 (E_RNA)
where:
Base-Base interactions energy: -559.232
where: short stacking energy: -236.761
Base-Backbone interact. energy: 1.140
local terms energy: -255.547183
where:
bonds (distance) C4'-P energy: -49.564
bonds (distance) P-C4' energy: -50.504
flat angles C4'-P-C4' energy: -59.518
flat angles P-C4'-P energy: -38.565
tors. eta vs tors. theta energy: -57.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -703.052757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.052757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.052757 (E_RNA)
where:
Base-Base interactions energy: -470.174
where: short stacking energy: -208.452
Base-Backbone interact. energy: 0.290
local terms energy: -233.169297
where:
bonds (distance) C4'-P energy: -40.565
bonds (distance) P-C4' energy: -54.293
flat angles C4'-P-C4' energy: -45.836
flat angles P-C4'-P energy: -32.042
tors. eta vs tors. theta energy: -60.432
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: 6
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -645.303543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.303543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.303543 (E_RNA)
where:
Base-Base interactions energy: -441.029
where: short stacking energy: -187.632
Base-Backbone interact. energy: -1.232
local terms energy: -203.043258
where:
bonds (distance) C4'-P energy: -39.778
bonds (distance) P-C4' energy: -46.902
flat angles C4'-P-C4' energy: -39.297
flat angles P-C4'-P energy: -37.412
tors. eta vs tors. theta energy: -39.655
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: 7, replica: 8
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -597.735201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.735201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.735201 (E_RNA)
where:
Base-Base interactions energy: -400.780
where: short stacking energy: -189.625
Base-Backbone interact. energy: 0.167
local terms energy: -197.122326
where:
bonds (distance) C4'-P energy: -43.139
bonds (distance) P-C4' energy: -49.782
flat angles C4'-P-C4' energy: -41.058
flat angles P-C4'-P energy: -24.654
tors. eta vs tors. theta energy: -38.489
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: 2
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -565.421657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.421657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.421657 (E_RNA)
where:
Base-Base interactions energy: -362.694
where: short stacking energy: -161.350
Base-Backbone interact. energy: -0.446
local terms energy: -202.282028
where:
bonds (distance) C4'-P energy: -43.312
bonds (distance) P-C4' energy: -40.888
flat angles C4'-P-C4' energy: -41.807
flat angles P-C4'-P energy: -34.659
tors. eta vs tors. theta energy: -41.616
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: 9, replica: 10
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -226.718297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.718297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.718297 (E_RNA)
where:
Base-Base interactions energy: -74.809
where: short stacking energy: -57.967
Base-Backbone interact. energy: -1.050
local terms energy: -150.859734
where:
bonds (distance) C4'-P energy: -50.501
bonds (distance) P-C4' energy: -43.309
flat angles C4'-P-C4' energy: -40.612
flat angles P-C4'-P energy: -22.816
tors. eta vs tors. theta energy: 6.378
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: 9
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -226.763837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.763837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.763837 (E_RNA)
where:
Base-Base interactions energy: -73.540
where: short stacking energy: -70.773
Base-Backbone interact. energy: -0.634
local terms energy: -152.589896
where:
bonds (distance) C4'-P energy: -48.257
bonds (distance) P-C4' energy: -48.493
flat angles C4'-P-C4' energy: -22.956
flat angles P-C4'-P energy: -26.348
tors. eta vs tors. theta energy: -6.535
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: 1, replica: 4
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -892.060039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.060039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.060039 (E_RNA)
where:
Base-Base interactions energy: -622.789
where: short stacking energy: -265.426
Base-Backbone interact. energy: -1.180
local terms energy: -268.091210
where:
bonds (distance) C4'-P energy: -47.896
bonds (distance) P-C4' energy: -47.591
flat angles C4'-P-C4' energy: -54.186
flat angles P-C4'-P energy: -48.376
tors. eta vs tors. theta energy: -70.043
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: 3
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -890.083997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.083997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.083997 (E_RNA)
where:
Base-Base interactions energy: -622.010
where: short stacking energy: -249.958
Base-Backbone interact. energy: 0.602
local terms energy: -268.676574
where:
bonds (distance) C4'-P energy: -47.607
bonds (distance) P-C4' energy: -47.846
flat angles C4'-P-C4' energy: -56.834
flat angles P-C4'-P energy: -42.278
tors. eta vs tors. theta energy: -74.112
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: 1
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -831.535083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.535083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.535083 (E_RNA)
where:
Base-Base interactions energy: -575.881
where: short stacking energy: -259.870
Base-Backbone interact. energy: -1.808
local terms energy: -253.845629
where:
bonds (distance) C4'-P energy: -45.461
bonds (distance) P-C4' energy: -55.482
flat angles C4'-P-C4' energy: -55.357
flat angles P-C4'-P energy: -31.634
tors. eta vs tors. theta energy: -65.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -812.729682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.729682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.729682 (E_RNA)
where:
Base-Base interactions energy: -551.456
where: short stacking energy: -250.296
Base-Backbone interact. energy: -1.474
local terms energy: -259.799770
where:
bonds (distance) C4'-P energy: -47.788
bonds (distance) P-C4' energy: -41.589
flat angles C4'-P-C4' energy: -64.923
flat angles P-C4'-P energy: -32.476
tors. eta vs tors. theta energy: -73.023
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: 7
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -729.821557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.821557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.821557 (E_RNA)
where:
Base-Base interactions energy: -498.481
where: short stacking energy: -217.350
Base-Backbone interact. energy: -1.773
local terms energy: -229.567735
where:
bonds (distance) C4'-P energy: -48.005
bonds (distance) P-C4' energy: -42.343
flat angles C4'-P-C4' energy: -45.524
flat angles P-C4'-P energy: -33.620
tors. eta vs tors. theta energy: -60.076
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: 6, replica: 6
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -682.337900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.337900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.337900 (E_RNA)
where:
Base-Base interactions energy: -443.810
where: short stacking energy: -186.520
Base-Backbone interact. energy: -1.612
local terms energy: -236.915567
where:
bonds (distance) C4'-P energy: -58.101
bonds (distance) P-C4' energy: -52.568
flat angles C4'-P-C4' energy: -47.401
flat angles P-C4'-P energy: -37.161
tors. eta vs tors. theta energy: -41.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -592.864809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.864809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.864809 (E_RNA)
where:
Base-Base interactions energy: -392.729
where: short stacking energy: -188.151
Base-Backbone interact. energy: -1.284
local terms energy: -198.851561
where:
bonds (distance) C4'-P energy: -36.001
bonds (distance) P-C4' energy: -46.598
flat angles C4'-P-C4' energy: -45.120
flat angles P-C4'-P energy: -33.693
tors. eta vs tors. theta energy: -37.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -591.064963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.064963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.064963 (E_RNA)
where:
Base-Base interactions energy: -382.803
where: short stacking energy: -169.023
Base-Backbone interact. energy: 1.582
local terms energy: -209.843435
where:
bonds (distance) C4'-P energy: -48.184
bonds (distance) P-C4' energy: -48.361
flat angles C4'-P-C4' energy: -45.718
flat angles P-C4'-P energy: -29.124
tors. eta vs tors. theta energy: -38.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -238.116832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.116832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.116832 (E_RNA)
where:
Base-Base interactions energy: -84.331
where: short stacking energy: -71.303
Base-Backbone interact. energy: 4.504
local terms energy: -158.290252
where:
bonds (distance) C4'-P energy: -46.675
bonds (distance) P-C4' energy: -46.218
flat angles C4'-P-C4' energy: -45.180
flat angles P-C4'-P energy: -24.140
tors. eta vs tors. theta energy: 3.924
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: 10, replica: 10
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -216.489591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.489591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.489591 (E_RNA)
where:
Base-Base interactions energy: -75.187
where: short stacking energy: -61.147
Base-Backbone interact. energy: -0.718
local terms energy: -140.585201
where:
bonds (distance) C4'-P energy: -45.218
bonds (distance) P-C4' energy: -39.575
flat angles C4'-P-C4' energy: -28.371
flat angles P-C4'-P energy: -32.117
tors. eta vs tors. theta energy: 4.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -922.180686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.180686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.180686 (E_RNA)
where:
Base-Base interactions energy: -633.248
where: short stacking energy: -272.557
Base-Backbone interact. energy: -0.614
local terms energy: -288.318687
where:
bonds (distance) C4'-P energy: -52.446
bonds (distance) P-C4' energy: -54.480
flat angles C4'-P-C4' energy: -61.527
flat angles P-C4'-P energy: -46.986
tors. eta vs tors. theta energy: -72.879
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: 2, replica: 3
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -898.921600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.921600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.921600 (E_RNA)
where:
Base-Base interactions energy: -627.932
where: short stacking energy: -257.213
Base-Backbone interact. energy: -1.787
local terms energy: -269.203025
where:
bonds (distance) C4'-P energy: -51.388
bonds (distance) P-C4' energy: -57.570
flat angles C4'-P-C4' energy: -57.228
flat angles P-C4'-P energy: -36.948
tors. eta vs tors. theta energy: -66.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -854.955109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.955109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.955109 (E_RNA)
where:
Base-Base interactions energy: -587.501
where: short stacking energy: -259.214
Base-Backbone interact. energy: 0.128
local terms energy: -267.582176
where:
bonds (distance) C4'-P energy: -49.895
bonds (distance) P-C4' energy: -45.506
flat angles C4'-P-C4' energy: -60.885
flat angles P-C4'-P energy: -38.389
tors. eta vs tors. theta energy: -72.907
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: 5
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -824.022099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.022099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.022099 (E_RNA)
where:
Base-Base interactions energy: -572.692
where: short stacking energy: -257.251
Base-Backbone interact. energy: 0.718
local terms energy: -252.047955
where:
bonds (distance) C4'-P energy: -47.745
bonds (distance) P-C4' energy: -58.605
flat angles C4'-P-C4' energy: -49.265
flat angles P-C4'-P energy: -34.538
tors. eta vs tors. theta energy: -61.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -719.760959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.760959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.760959 (E_RNA)
where:
Base-Base interactions energy: -478.077
where: short stacking energy: -218.215
Base-Backbone interact. energy: -0.008
local terms energy: -241.675639
where:
bonds (distance) C4'-P energy: -47.803
bonds (distance) P-C4' energy: -53.056
flat angles C4'-P-C4' energy: -51.707
flat angles P-C4'-P energy: -34.840
tors. eta vs tors. theta energy: -54.271
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: 6
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -646.065473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.065473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.065473 (E_RNA)
where:
Base-Base interactions energy: -416.393
where: short stacking energy: -174.176
Base-Backbone interact. energy: -0.457
local terms energy: -229.215042
where:
bonds (distance) C4'-P energy: -47.560
bonds (distance) P-C4' energy: -48.400
flat angles C4'-P-C4' energy: -53.247
flat angles P-C4'-P energy: -33.397
tors. eta vs tors. theta energy: -46.610
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: 2
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -585.005478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.005478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.005478 (E_RNA)
where:
Base-Base interactions energy: -367.876
where: short stacking energy: -177.670
Base-Backbone interact. energy: 1.792
local terms energy: -218.920733
where:
bonds (distance) C4'-P energy: -44.476
bonds (distance) P-C4' energy: -54.143
flat angles C4'-P-C4' energy: -51.353
flat angles P-C4'-P energy: -29.357
tors. eta vs tors. theta energy: -39.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -561.104274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.104274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.104274 (E_RNA)
where:
Base-Base interactions energy: -357.097
where: short stacking energy: -152.950
Base-Backbone interact. energy: 1.714
local terms energy: -205.721169
where:
bonds (distance) C4'-P energy: -55.712
bonds (distance) P-C4' energy: -40.584
flat angles C4'-P-C4' energy: -49.219
flat angles P-C4'-P energy: -27.462
tors. eta vs tors. theta energy: -32.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -242.430636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.430636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.430636 (E_RNA)
where:
Base-Base interactions energy: -72.632
where: short stacking energy: -62.421
Base-Backbone interact. energy: -1.447
local terms energy: -168.351553
where:
bonds (distance) C4'-P energy: -46.129
bonds (distance) P-C4' energy: -47.570
flat angles C4'-P-C4' energy: -49.469
flat angles P-C4'-P energy: -29.966
tors. eta vs tors. theta energy: 4.783
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: 10
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -226.201230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.201230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.201230 (E_RNA)
where:
Base-Base interactions energy: -117.763
where: short stacking energy: -65.640
Base-Backbone interact. energy: -0.111
local terms energy: -108.326966
where:
bonds (distance) C4'-P energy: -29.104
bonds (distance) P-C4' energy: -47.347
flat angles C4'-P-C4' energy: -34.988
flat angles P-C4'-P energy: -8.799
tors. eta vs tors. theta energy: 11.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -924.941880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.941880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.941880 (E_RNA)
where:
Base-Base interactions energy: -641.119
where: short stacking energy: -273.011
Base-Backbone interact. energy: -2.944
local terms energy: -280.878199
where:
bonds (distance) C4'-P energy: -52.274
bonds (distance) P-C4' energy: -58.237
flat angles C4'-P-C4' energy: -59.218
flat angles P-C4'-P energy: -39.061
tors. eta vs tors. theta energy: -72.088
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: 2, replica: 3
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -869.657319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.657319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.657319 (E_RNA)
where:
Base-Base interactions energy: -598.269
where: short stacking energy: -246.226
Base-Backbone interact. energy: -1.994
local terms energy: -269.394316
where:
bonds (distance) C4'-P energy: -56.262
bonds (distance) P-C4' energy: -54.748
flat angles C4'-P-C4' energy: -55.986
flat angles P-C4'-P energy: -41.240
tors. eta vs tors. theta energy: -61.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -840.137594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.137594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.137594 (E_RNA)
where:
Base-Base interactions energy: -577.381
where: short stacking energy: -249.035
Base-Backbone interact. energy: -1.332
local terms energy: -261.424745
where:
bonds (distance) C4'-P energy: -51.308
bonds (distance) P-C4' energy: -48.332
flat angles C4'-P-C4' energy: -58.552
flat angles P-C4'-P energy: -39.970
tors. eta vs tors. theta energy: -63.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -812.794645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.794645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.794645 (E_RNA)
where:
Base-Base interactions energy: -553.827
where: short stacking energy: -235.636
Base-Backbone interact. energy: -1.428
local terms energy: -257.539766
where:
bonds (distance) C4'-P energy: -46.961
bonds (distance) P-C4' energy: -51.304
flat angles C4'-P-C4' energy: -57.622
flat angles P-C4'-P energy: -43.664
tors. eta vs tors. theta energy: -57.989
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: 5, replica: 7
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -714.000253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.000253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.000253 (E_RNA)
where:
Base-Base interactions energy: -486.900
where: short stacking energy: -195.178
Base-Backbone interact. energy: -0.638
local terms energy: -226.462267
where:
bonds (distance) C4'-P energy: -47.066
bonds (distance) P-C4' energy: -46.612
flat angles C4'-P-C4' energy: -54.816
flat angles P-C4'-P energy: -29.926
tors. eta vs tors. theta energy: -48.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -667.603263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.603263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.603263 (E_RNA)
where:
Base-Base interactions energy: -453.890
where: short stacking energy: -181.262
Base-Backbone interact. energy: 0.905
local terms energy: -214.618409
where:
bonds (distance) C4'-P energy: -49.127
bonds (distance) P-C4' energy: -51.462
flat angles C4'-P-C4' energy: -49.065
flat angles P-C4'-P energy: -31.178
tors. eta vs tors. theta energy: -33.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -580.295100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.295100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.295100 (E_RNA)
where:
Base-Base interactions energy: -379.924
where: short stacking energy: -178.531
Base-Backbone interact. energy: -0.702
local terms energy: -199.669106
where:
bonds (distance) C4'-P energy: -45.044
bonds (distance) P-C4' energy: -44.528
flat angles C4'-P-C4' energy: -39.014
flat angles P-C4'-P energy: -30.156
tors. eta vs tors. theta energy: -40.927
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: 8
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -605.151578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.151578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.151578 (E_RNA)
where:
Base-Base interactions energy: -405.568
where: short stacking energy: -176.639
Base-Backbone interact. energy: 1.332
local terms energy: -200.916107
where:
bonds (distance) C4'-P energy: -35.772
bonds (distance) P-C4' energy: -37.933
flat angles C4'-P-C4' energy: -56.273
flat angles P-C4'-P energy: -34.183
tors. eta vs tors. theta energy: -36.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -251.729175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.729175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.729175 (E_RNA)
where:
Base-Base interactions energy: -112.407
where: short stacking energy: -63.969
Base-Backbone interact. energy: 2.387
local terms energy: -141.709504
where:
bonds (distance) C4'-P energy: -27.894
bonds (distance) P-C4' energy: -46.827
flat angles C4'-P-C4' energy: -39.478
flat angles P-C4'-P energy: -28.070
tors. eta vs tors. theta energy: 0.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -233.709485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.709485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.709485 (E_RNA)
where:
Base-Base interactions energy: -92.405
where: short stacking energy: -64.117
Base-Backbone interact. energy: -0.691
local terms energy: -140.613323
where:
bonds (distance) C4'-P energy: -32.900
bonds (distance) P-C4' energy: -51.349
flat angles C4'-P-C4' energy: -40.875
flat angles P-C4'-P energy: -17.373
tors. eta vs tors. theta energy: 1.884
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: 4
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -932.916829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.916829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.916829 (E_RNA)
where:
Base-Base interactions energy: -647.967
where: short stacking energy: -278.880
Base-Backbone interact. energy: -1.080
local terms energy: -283.869418
where:
bonds (distance) C4'-P energy: -52.342
bonds (distance) P-C4' energy: -48.685
flat angles C4'-P-C4' energy: -60.999
flat angles P-C4'-P energy: -44.202
tors. eta vs tors. theta energy: -77.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -867.847316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.847316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.847316 (E_RNA)
where:
Base-Base interactions energy: -605.195
where: short stacking energy: -266.184
Base-Backbone interact. energy: -0.035
local terms energy: -262.617413
where:
bonds (distance) C4'-P energy: -45.125
bonds (distance) P-C4' energy: -51.402
flat angles C4'-P-C4' energy: -53.625
flat angles P-C4'-P energy: -39.716
tors. eta vs tors. theta energy: -72.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -851.185528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.185528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.185528 (E_RNA)
where:
Base-Base interactions energy: -591.440
where: short stacking energy: -244.915
Base-Backbone interact. energy: -0.310
local terms energy: -259.435644
where:
bonds (distance) C4'-P energy: -46.772
bonds (distance) P-C4' energy: -52.144
flat angles C4'-P-C4' energy: -59.725
flat angles P-C4'-P energy: -33.929
tors. eta vs tors. theta energy: -66.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -819.971709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.971709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.971709 (E_RNA)
where:
Base-Base interactions energy: -571.977
where: short stacking energy: -239.348
Base-Backbone interact. energy: -1.241
local terms energy: -246.754349
where:
bonds (distance) C4'-P energy: -44.986
bonds (distance) P-C4' energy: -54.686
flat angles C4'-P-C4' energy: -53.730
flat angles P-C4'-P energy: -35.446
tors. eta vs tors. theta energy: -57.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -681.169362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.169362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.169362 (E_RNA)
where:
Base-Base interactions energy: -468.595
where: short stacking energy: -197.447
Base-Backbone interact. energy: -0.605
local terms energy: -211.969077
where:
bonds (distance) C4'-P energy: -42.975
bonds (distance) P-C4' energy: -58.772
flat angles C4'-P-C4' energy: -46.311
flat angles P-C4'-P energy: -28.145
tors. eta vs tors. theta energy: -35.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -668.417477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.417477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.417477 (E_RNA)
where:
Base-Base interactions energy: -427.230
where: short stacking energy: -180.455
Base-Backbone interact. energy: 1.992
local terms energy: -243.179763
where:
bonds (distance) C4'-P energy: -51.506
bonds (distance) P-C4' energy: -43.996
flat angles C4'-P-C4' energy: -51.613
flat angles P-C4'-P energy: -43.647
tors. eta vs tors. theta energy: -52.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -564.477853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.477853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.477853 (E_RNA)
where:
Base-Base interactions energy: -372.225
where: short stacking energy: -165.641
Base-Backbone interact. energy: 1.778
local terms energy: -194.030951
where:
bonds (distance) C4'-P energy: -46.437
bonds (distance) P-C4' energy: -48.712
flat angles C4'-P-C4' energy: -45.818
flat angles P-C4'-P energy: -23.947
tors. eta vs tors. theta energy: -29.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -576.359587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.359587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.359587 (E_RNA)
where:
Base-Base interactions energy: -377.922
where: short stacking energy: -162.524
Base-Backbone interact. energy: -0.639
local terms energy: -197.798455
where:
bonds (distance) C4'-P energy: -46.318
bonds (distance) P-C4' energy: -43.920
flat angles C4'-P-C4' energy: -42.413
flat angles P-C4'-P energy: -24.762
tors. eta vs tors. theta energy: -40.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -268.983623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.983623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.983623 (E_RNA)
where:
Base-Base interactions energy: -111.073
where: short stacking energy: -76.960
Base-Backbone interact. energy: -1.364
local terms energy: -156.546619
where:
bonds (distance) C4'-P energy: -43.617
bonds (distance) P-C4' energy: -49.416
flat angles C4'-P-C4' energy: -41.497
flat angles P-C4'-P energy: -25.048
tors. eta vs tors. theta energy: 3.031
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: 9
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -259.045844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.045844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.045844 (E_RNA)
where:
Base-Base interactions energy: -99.279
where: short stacking energy: -73.136
Base-Backbone interact. energy: 0.050
local terms energy: -159.816642
where:
bonds (distance) C4'-P energy: -39.210
bonds (distance) P-C4' energy: -48.392
flat angles C4'-P-C4' energy: -48.532
flat angles P-C4'-P energy: -13.841
tors. eta vs tors. theta energy: -9.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -908.078632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.078632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.078632 (E_RNA)
where:
Base-Base interactions energy: -628.708
where: short stacking energy: -270.205
Base-Backbone interact. energy: -0.309
local terms energy: -279.061127
where:
bonds (distance) C4'-P energy: -50.054
bonds (distance) P-C4' energy: -55.449
flat angles C4'-P-C4' energy: -57.875
flat angles P-C4'-P energy: -38.009
tors. eta vs tors. theta energy: -77.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -867.981785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.981785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.981785 (E_RNA)
where:
Base-Base interactions energy: -599.637
where: short stacking energy: -247.944
Base-Backbone interact. energy: -1.957
local terms energy: -266.388262
where:
bonds (distance) C4'-P energy: -48.561
bonds (distance) P-C4' energy: -51.189
flat angles C4'-P-C4' energy: -55.196
flat angles P-C4'-P energy: -43.479
tors. eta vs tors. theta energy: -67.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -829.676242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.676242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.676242 (E_RNA)
where:
Base-Base interactions energy: -564.698
where: short stacking energy: -238.089
Base-Backbone interact. energy: -0.337
local terms energy: -264.641663
where:
bonds (distance) C4'-P energy: -56.422
bonds (distance) P-C4' energy: -44.954
flat angles C4'-P-C4' energy: -51.509
flat angles P-C4'-P energy: -36.349
tors. eta vs tors. theta energy: -75.407
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: 5
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -827.719569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.719569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.719569 (E_RNA)
where:
Base-Base interactions energy: -567.402
where: short stacking energy: -246.252
Base-Backbone interact. energy: -0.547
local terms energy: -259.769994
where:
bonds (distance) C4'-P energy: -49.877
bonds (distance) P-C4' energy: -48.138
flat angles C4'-P-C4' energy: -61.144
flat angles P-C4'-P energy: -37.875
tors. eta vs tors. theta energy: -62.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -702.427923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.427923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.427923 (E_RNA)
where:
Base-Base interactions energy: -469.889
where: short stacking energy: -200.493
Base-Backbone interact. energy: -1.886
local terms energy: -230.652731
where:
bonds (distance) C4'-P energy: -47.939
bonds (distance) P-C4' energy: -49.287
flat angles C4'-P-C4' energy: -52.987
flat angles P-C4'-P energy: -33.103
tors. eta vs tors. theta energy: -47.336
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: 6, replica: 7
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -679.725978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.725978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.725978 (E_RNA)
where:
Base-Base interactions energy: -454.515
where: short stacking energy: -198.893
Base-Backbone interact. energy: 0.806
local terms energy: -226.017368
where:
bonds (distance) C4'-P energy: -42.362
bonds (distance) P-C4' energy: -48.073
flat angles C4'-P-C4' energy: -57.392
flat angles P-C4'-P energy: -30.320
tors. eta vs tors. theta energy: -47.871
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: 7, replica: 8
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -558.090760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.090760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.090760 (E_RNA)
where:
Base-Base interactions energy: -352.728
where: short stacking energy: -163.458
Base-Backbone interact. energy: -1.092
local terms energy: -204.271114
where:
bonds (distance) C4'-P energy: -50.669
bonds (distance) P-C4' energy: -45.486
flat angles C4'-P-C4' energy: -36.871
flat angles P-C4'-P energy: -29.243
tors. eta vs tors. theta energy: -42.002
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: 8, replica: 2
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -553.415716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.415716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.415716 (E_RNA)
where:
Base-Base interactions energy: -362.952
where: short stacking energy: -163.732
Base-Backbone interact. energy: -0.350
local terms energy: -190.114012
where:
bonds (distance) C4'-P energy: -48.185
bonds (distance) P-C4' energy: -41.884
flat angles C4'-P-C4' energy: -48.050
flat angles P-C4'-P energy: -19.840
tors. eta vs tors. theta energy: -32.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -252.376045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.376045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.376045 (E_RNA)
where:
Base-Base interactions energy: -112.624
where: short stacking energy: -83.409
Base-Backbone interact. energy: -1.072
local terms energy: -138.680119
where:
bonds (distance) C4'-P energy: -39.989
bonds (distance) P-C4' energy: -44.759
flat angles C4'-P-C4' energy: -41.915
flat angles P-C4'-P energy: -14.236
tors. eta vs tors. theta energy: 2.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -219.427520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.427520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.427520 (E_RNA)
where:
Base-Base interactions energy: -64.447
where: short stacking energy: -59.222
Base-Backbone interact. energy: 1.178
local terms energy: -156.158679
where:
bonds (distance) C4'-P energy: -25.374
bonds (distance) P-C4' energy: -55.842
flat angles C4'-P-C4' energy: -45.557
flat angles P-C4'-P energy: -34.506
tors. eta vs tors. theta energy: 5.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -917.686663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.686663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.686663 (E_RNA)
where:
Base-Base interactions energy: -621.994
where: short stacking energy: -273.202
Base-Backbone interact. energy: -2.201
local terms energy: -293.491529
where:
bonds (distance) C4'-P energy: -54.110
bonds (distance) P-C4' energy: -62.365
flat angles C4'-P-C4' energy: -63.845
flat angles P-C4'-P energy: -41.601
tors. eta vs tors. theta energy: -71.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -872.017871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.017871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.017871 (E_RNA)
where:
Base-Base interactions energy: -597.951
where: short stacking energy: -247.882
Base-Backbone interact. energy: -0.696
local terms energy: -273.371656
where:
bonds (distance) C4'-P energy: -52.414
bonds (distance) P-C4' energy: -52.955
flat angles C4'-P-C4' energy: -59.934
flat angles P-C4'-P energy: -33.709
tors. eta vs tors. theta energy: -74.359
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: 1
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -816.607349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.607349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.607349 (E_RNA)
where:
Base-Base interactions energy: -558.511
where: short stacking energy: -243.243
Base-Backbone interact. energy: -1.063
local terms energy: -257.034047
where:
bonds (distance) C4'-P energy: -51.210
bonds (distance) P-C4' energy: -46.222
flat angles C4'-P-C4' energy: -61.649
flat angles P-C4'-P energy: -30.757
tors. eta vs tors. theta energy: -67.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -835.255872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.255872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.255872 (E_RNA)
where:
Base-Base interactions energy: -572.338
where: short stacking energy: -233.514
Base-Backbone interact. energy: -1.148
local terms energy: -261.769800
where:
bonds (distance) C4'-P energy: -54.770
bonds (distance) P-C4' energy: -51.407
flat angles C4'-P-C4' energy: -58.333
flat angles P-C4'-P energy: -37.347
tors. eta vs tors. theta energy: -59.913
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: 6
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -715.279831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.279831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.279831 (E_RNA)
where:
Base-Base interactions energy: -477.236
where: short stacking energy: -214.529
Base-Backbone interact. energy: -0.689
local terms energy: -237.354567
where:
bonds (distance) C4'-P energy: -44.760
bonds (distance) P-C4' energy: -46.198
flat angles C4'-P-C4' energy: -52.756
flat angles P-C4'-P energy: -38.999
tors. eta vs tors. theta energy: -54.643
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: 7
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -708.325114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.325114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.325114 (E_RNA)
where:
Base-Base interactions energy: -491.591
where: short stacking energy: -205.453
Base-Backbone interact. energy: -1.517
local terms energy: -215.216752
where:
bonds (distance) C4'-P energy: -39.277
bonds (distance) P-C4' energy: -43.035
flat angles C4'-P-C4' energy: -54.484
flat angles P-C4'-P energy: -28.969
tors. eta vs tors. theta energy: -49.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -618.166983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.166983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.166983 (E_RNA)
where:
Base-Base interactions energy: -398.153
where: short stacking energy: -176.828
Base-Backbone interact. energy: 0.865
local terms energy: -220.878774
where:
bonds (distance) C4'-P energy: -45.454
bonds (distance) P-C4' energy: -50.327
flat angles C4'-P-C4' energy: -43.998
flat angles P-C4'-P energy: -43.098
tors. eta vs tors. theta energy: -38.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -587.637388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.637388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.637388 (E_RNA)
where:
Base-Base interactions energy: -380.098
where: short stacking energy: -163.255
Base-Backbone interact. energy: 0.103
local terms energy: -207.641916
where:
bonds (distance) C4'-P energy: -47.728
bonds (distance) P-C4' energy: -47.734
flat angles C4'-P-C4' energy: -51.895
flat angles P-C4'-P energy: -22.061
tors. eta vs tors. theta energy: -38.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -227.532547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.532547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.532547 (E_RNA)
where:
Base-Base interactions energy: -80.157
where: short stacking energy: -54.728
Base-Backbone interact. energy: -0.059
local terms energy: -147.315979
where:
bonds (distance) C4'-P energy: -48.233
bonds (distance) P-C4' energy: -41.022
flat angles C4'-P-C4' energy: -37.430
flat angles P-C4'-P energy: -29.542
tors. eta vs tors. theta energy: 8.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -250.172678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.172678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.172678 (E_RNA)
where:
Base-Base interactions energy: -92.135
where: short stacking energy: -64.727
Base-Backbone interact. energy: -0.053
local terms energy: -157.984910
where:
bonds (distance) C4'-P energy: -52.825
bonds (distance) P-C4' energy: -45.046
flat angles C4'-P-C4' energy: -40.760
flat angles P-C4'-P energy: -14.842
tors. eta vs tors. theta energy: -4.512
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: 4
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -923.905464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.905464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.905464 (E_RNA)
where:
Base-Base interactions energy: -647.053
where: short stacking energy: -287.859
Base-Backbone interact. energy: -1.802
local terms energy: -275.050702
where:
bonds (distance) C4'-P energy: -46.713
bonds (distance) P-C4' energy: -56.177
flat angles C4'-P-C4' energy: -62.714
flat angles P-C4'-P energy: -36.183
tors. eta vs tors. theta energy: -73.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -882.001580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.001580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.001580 (E_RNA)
where:
Base-Base interactions energy: -610.650
where: short stacking energy: -264.625
Base-Backbone interact. energy: 0.151
local terms energy: -271.502827
where:
bonds (distance) C4'-P energy: -50.509
bonds (distance) P-C4' energy: -50.904
flat angles C4'-P-C4' energy: -56.512
flat angles P-C4'-P energy: -40.841
tors. eta vs tors. theta energy: -72.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -843.577247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.577247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.577247 (E_RNA)
where:
Base-Base interactions energy: -577.296
where: short stacking energy: -256.322
Base-Backbone interact. energy: -0.525
local terms energy: -265.755953
where:
bonds (distance) C4'-P energy: -51.361
bonds (distance) P-C4' energy: -55.042
flat angles C4'-P-C4' energy: -58.001
flat angles P-C4'-P energy: -32.178
tors. eta vs tors. theta energy: -69.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -811.635582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.635582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.635582 (E_RNA)
where:
Base-Base interactions energy: -563.621
where: short stacking energy: -235.154
Base-Backbone interact. energy: -0.245
local terms energy: -247.769741
where:
bonds (distance) C4'-P energy: -44.736
bonds (distance) P-C4' energy: -43.834
flat angles C4'-P-C4' energy: -51.277
flat angles P-C4'-P energy: -39.599
tors. eta vs tors. theta energy: -68.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -708.818520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.818520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.818520 (E_RNA)
where:
Base-Base interactions energy: -478.197
where: short stacking energy: -206.025
Base-Backbone interact. energy: -0.792
local terms energy: -229.829408
where:
bonds (distance) C4'-P energy: -47.217
bonds (distance) P-C4' energy: -50.514
flat angles C4'-P-C4' energy: -50.782
flat angles P-C4'-P energy: -30.413
tors. eta vs tors. theta energy: -50.903
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: 7
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -698.789526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.789526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.789526 (E_RNA)
where:
Base-Base interactions energy: -470.691
where: short stacking energy: -197.997
Base-Backbone interact. energy: -1.673
local terms energy: -226.425064
where:
bonds (distance) C4'-P energy: -49.580
bonds (distance) P-C4' energy: -45.395
flat angles C4'-P-C4' energy: -49.302
flat angles P-C4'-P energy: -37.772
tors. eta vs tors. theta energy: -44.376
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: 2
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -614.114812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.114812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.114812 (E_RNA)
where:
Base-Base interactions energy: -391.119
where: short stacking energy: -183.373
Base-Backbone interact. energy: -1.314
local terms energy: -221.681320
where:
bonds (distance) C4'-P energy: -48.514
bonds (distance) P-C4' energy: -47.362
flat angles C4'-P-C4' energy: -55.498
flat angles P-C4'-P energy: -29.527
tors. eta vs tors. theta energy: -40.780
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: 8
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -608.087842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.087842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.087842 (E_RNA)
where:
Base-Base interactions energy: -386.506
where: short stacking energy: -192.777
Base-Backbone interact. energy: 2.278
local terms energy: -223.860779
where:
bonds (distance) C4'-P energy: -40.352
bonds (distance) P-C4' energy: -47.916
flat angles C4'-P-C4' energy: -50.939
flat angles P-C4'-P energy: -28.558
tors. eta vs tors. theta energy: -56.096
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: 10
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -294.241569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.241569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.241569 (E_RNA)
where:
Base-Base interactions energy: -119.436
where: short stacking energy: -72.382
Base-Backbone interact. energy: -1.756
local terms energy: -173.049647
where:
bonds (distance) C4'-P energy: -36.409
bonds (distance) P-C4' energy: -51.457
flat angles C4'-P-C4' energy: -49.036
flat angles P-C4'-P energy: -15.936
tors. eta vs tors. theta energy: -20.212
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: 9
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -231.657315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.657315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.657315 (E_RNA)
where:
Base-Base interactions energy: -85.052
where: short stacking energy: -58.351
Base-Backbone interact. energy: -1.361
local terms energy: -145.243977
where:
bonds (distance) C4'-P energy: -41.554
bonds (distance) P-C4' energy: -42.697
flat angles C4'-P-C4' energy: -40.547
flat angles P-C4'-P energy: -32.884
tors. eta vs tors. theta energy: 12.438
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: 4
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -913.259836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.259836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.259836 (E_RNA)
where:
Base-Base interactions energy: -642.860
where: short stacking energy: -278.035
Base-Backbone interact. energy: 4.850
local terms energy: -275.249816
where:
bonds (distance) C4'-P energy: -50.555
bonds (distance) P-C4' energy: -48.543
flat angles C4'-P-C4' energy: -61.013
flat angles P-C4'-P energy: -42.260
tors. eta vs tors. theta energy: -72.879
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: 2, replica: 1
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -869.194764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.194764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.194764 (E_RNA)
where:
Base-Base interactions energy: -590.933
where: short stacking energy: -259.252
Base-Backbone interact. energy: 0.171
local terms energy: -278.433314
where:
bonds (distance) C4'-P energy: -53.306
bonds (distance) P-C4' energy: -57.939
flat angles C4'-P-C4' energy: -58.906
flat angles P-C4'-P energy: -44.608
tors. eta vs tors. theta energy: -63.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -835.734169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.734169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.734169 (E_RNA)
where:
Base-Base interactions energy: -566.947
where: short stacking energy: -257.634
Base-Backbone interact. energy: 0.776
local terms energy: -269.562869
where:
bonds (distance) C4'-P energy: -50.881
bonds (distance) P-C4' energy: -52.111
flat angles C4'-P-C4' energy: -59.006
flat angles P-C4'-P energy: -44.937
tors. eta vs tors. theta energy: -62.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -826.060134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.060134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.060134 (E_RNA)
where:
Base-Base interactions energy: -565.948
where: short stacking energy: -237.155
Base-Backbone interact. energy: -1.345
local terms energy: -258.768027
where:
bonds (distance) C4'-P energy: -47.266
bonds (distance) P-C4' energy: -50.768
flat angles C4'-P-C4' energy: -56.237
flat angles P-C4'-P energy: -37.149
tors. eta vs tors. theta energy: -67.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -714.235009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.235009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.235009 (E_RNA)
where:
Base-Base interactions energy: -457.320
where: short stacking energy: -214.332
Base-Backbone interact. energy: -0.731
local terms energy: -256.183803
where:
bonds (distance) C4'-P energy: -40.684
bonds (distance) P-C4' energy: -59.850
flat angles C4'-P-C4' energy: -57.124
flat angles P-C4'-P energy: -41.371
tors. eta vs tors. theta energy: -57.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -665.717313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.717313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.717313 (E_RNA)
where:
Base-Base interactions energy: -452.872
where: short stacking energy: -190.993
Base-Backbone interact. energy: -0.884
local terms energy: -211.961574
where:
bonds (distance) C4'-P energy: -43.405
bonds (distance) P-C4' energy: -48.675
flat angles C4'-P-C4' energy: -45.721
flat angles P-C4'-P energy: -28.561
tors. eta vs tors. theta energy: -45.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -615.162672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.162672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.162672 (E_RNA)
where:
Base-Base interactions energy: -401.175
where: short stacking energy: -188.147
Base-Backbone interact. energy: -0.437
local terms energy: -213.550341
where:
bonds (distance) C4'-P energy: -42.495
bonds (distance) P-C4' energy: -44.619
flat angles C4'-P-C4' energy: -55.636
flat angles P-C4'-P energy: -27.435
tors. eta vs tors. theta energy: -43.364
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: 8, replica: 8
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -536.462227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.462227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.462227 (E_RNA)
where:
Base-Base interactions energy: -342.802
where: short stacking energy: -161.971
Base-Backbone interact. energy: -1.402
local terms energy: -192.258632
where:
bonds (distance) C4'-P energy: -46.210
bonds (distance) P-C4' energy: -37.487
flat angles C4'-P-C4' energy: -44.179
flat angles P-C4'-P energy: -25.112
tors. eta vs tors. theta energy: -39.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -280.043682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.043682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.043682 (E_RNA)
where:
Base-Base interactions energy: -121.833
where: short stacking energy: -69.774
Base-Backbone interact. energy: -0.289
local terms energy: -157.921522
where:
bonds (distance) C4'-P energy: -46.085
bonds (distance) P-C4' energy: -48.237
flat angles C4'-P-C4' energy: -45.943
flat angles P-C4'-P energy: -17.216
tors. eta vs tors. theta energy: -0.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -219.716604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.716604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.716604 (E_RNA)
where:
Base-Base interactions energy: -83.477
where: short stacking energy: -67.738
Base-Backbone interact. energy: -0.499
local terms energy: -135.741051
where:
bonds (distance) C4'-P energy: -31.891
bonds (distance) P-C4' energy: -54.055
flat angles C4'-P-C4' energy: -41.802
flat angles P-C4'-P energy: -19.463
tors. eta vs tors. theta energy: 11.470
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: 1
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -891.227033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.227033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.227033 (E_RNA)
where:
Base-Base interactions energy: -627.156
where: short stacking energy: -269.536
Base-Backbone interact. energy: -1.240
local terms energy: -262.830518
where:
bonds (distance) C4'-P energy: -47.394
bonds (distance) P-C4' energy: -46.132
flat angles C4'-P-C4' energy: -57.029
flat angles P-C4'-P energy: -40.076
tors. eta vs tors. theta energy: -72.200
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: 4
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -905.864805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.864805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.864805 (E_RNA)
where:
Base-Base interactions energy: -623.006
where: short stacking energy: -263.253
Base-Backbone interact. energy: -0.642
local terms energy: -282.216447
where:
bonds (distance) C4'-P energy: -52.146
bonds (distance) P-C4' energy: -58.758
flat angles C4'-P-C4' energy: -56.983
flat angles P-C4'-P energy: -40.703
tors. eta vs tors. theta energy: -73.626
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: 5
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -844.447907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.447907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.447907 (E_RNA)
where:
Base-Base interactions energy: -574.028
where: short stacking energy: -240.495
Base-Backbone interact. energy: -0.021
local terms energy: -270.399617
where:
bonds (distance) C4'-P energy: -51.071
bonds (distance) P-C4' energy: -47.269
flat angles C4'-P-C4' energy: -59.658
flat angles P-C4'-P energy: -40.985
tors. eta vs tors. theta energy: -71.417
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: 3
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -829.040351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.040351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.040351 (E_RNA)
where:
Base-Base interactions energy: -574.293
where: short stacking energy: -245.558
Base-Backbone interact. energy: 1.542
local terms energy: -256.289322
where:
bonds (distance) C4'-P energy: -39.395
bonds (distance) P-C4' energy: -52.410
flat angles C4'-P-C4' energy: -55.860
flat angles P-C4'-P energy: -41.423
tors. eta vs tors. theta energy: -67.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -723.919858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.919858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.919858 (E_RNA)
where:
Base-Base interactions energy: -473.440
where: short stacking energy: -216.360
Base-Backbone interact. energy: -0.995
local terms energy: -249.485154
where:
bonds (distance) C4'-P energy: -48.166
bonds (distance) P-C4' energy: -48.617
flat angles C4'-P-C4' energy: -55.766
flat angles P-C4'-P energy: -35.537
tors. eta vs tors. theta energy: -61.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -674.960070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.960070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.960070 (E_RNA)
where:
Base-Base interactions energy: -453.708
where: short stacking energy: -189.267
Base-Backbone interact. energy: -1.113
local terms energy: -220.139015
where:
bonds (distance) C4'-P energy: -52.530
bonds (distance) P-C4' energy: -43.227
flat angles C4'-P-C4' energy: -54.748
flat angles P-C4'-P energy: -20.344
tors. eta vs tors. theta energy: -49.289
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: 7, replica: 2
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -636.991508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.991508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.991508 (E_RNA)
where:
Base-Base interactions energy: -411.182
where: short stacking energy: -190.504
Base-Backbone interact. energy: -1.449
local terms energy: -224.361072
where:
bonds (distance) C4'-P energy: -49.458
bonds (distance) P-C4' energy: -48.845
flat angles C4'-P-C4' energy: -48.440
flat angles P-C4'-P energy: -37.252
tors. eta vs tors. theta energy: -40.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -567.116196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.116196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.116196 (E_RNA)
where:
Base-Base interactions energy: -353.200
where: short stacking energy: -145.022
Base-Backbone interact. energy: -1.360
local terms energy: -212.556877
where:
bonds (distance) C4'-P energy: -45.428
bonds (distance) P-C4' energy: -51.439
flat angles C4'-P-C4' energy: -56.541
flat angles P-C4'-P energy: -36.820
tors. eta vs tors. theta energy: -22.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -235.374265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.374265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.374265 (E_RNA)
where:
Base-Base interactions energy: -85.640
where: short stacking energy: -67.538
Base-Backbone interact. energy: -0.672
local terms energy: -149.061759
where:
bonds (distance) C4'-P energy: -37.760
bonds (distance) P-C4' energy: -49.188
flat angles C4'-P-C4' energy: -40.318
flat angles P-C4'-P energy: -27.358
tors. eta vs tors. theta energy: 5.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -233.148410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.148410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.148410 (E_RNA)
where:
Base-Base interactions energy: -80.014
where: short stacking energy: -80.592
Base-Backbone interact. energy: 0.039
local terms energy: -153.173047
where:
bonds (distance) C4'-P energy: -31.682
bonds (distance) P-C4' energy: -50.335
flat angles C4'-P-C4' energy: -43.176
flat angles P-C4'-P energy: -29.943
tors. eta vs tors. theta energy: 1.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -908.909232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.909232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.909232 (E_RNA)
where:
Base-Base interactions energy: -622.589
where: short stacking energy: -275.619
Base-Backbone interact. energy: -1.618
local terms energy: -284.702101
where:
bonds (distance) C4'-P energy: -53.572
bonds (distance) P-C4' energy: -58.479
flat angles C4'-P-C4' energy: -58.946
flat angles P-C4'-P energy: -41.110
tors. eta vs tors. theta energy: -72.596
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: 4
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -906.657988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.657988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.657988 (E_RNA)
where:
Base-Base interactions energy: -620.085
where: short stacking energy: -265.032
Base-Backbone interact. energy: -1.273
local terms energy: -285.300133
where:
bonds (distance) C4'-P energy: -55.470
bonds (distance) P-C4' energy: -57.295
flat angles C4'-P-C4' energy: -56.917
flat angles P-C4'-P energy: -38.924
tors. eta vs tors. theta energy: -76.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -854.972259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.972259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.972259 (E_RNA)
where:
Base-Base interactions energy: -580.474
where: short stacking energy: -253.638
Base-Backbone interact. energy: -0.889
local terms energy: -273.610060
where:
bonds (distance) C4'-P energy: -59.092
bonds (distance) P-C4' energy: -49.954
flat angles C4'-P-C4' energy: -64.435
flat angles P-C4'-P energy: -28.963
tors. eta vs tors. theta energy: -71.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -811.901183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.901183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.901183 (E_RNA)
where:
Base-Base interactions energy: -564.897
where: short stacking energy: -236.692
Base-Backbone interact. energy: 0.589
local terms energy: -247.592979
where:
bonds (distance) C4'-P energy: -41.574
bonds (distance) P-C4' energy: -51.045
flat angles C4'-P-C4' energy: -54.118
flat angles P-C4'-P energy: -36.834
tors. eta vs tors. theta energy: -64.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -685.583802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.583802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.583802 (E_RNA)
where:
Base-Base interactions energy: -443.107
where: short stacking energy: -197.141
Base-Backbone interact. energy: -1.007
local terms energy: -241.469781
where:
bonds (distance) C4'-P energy: -53.794
bonds (distance) P-C4' energy: -59.044
flat angles C4'-P-C4' energy: -53.322
flat angles P-C4'-P energy: -31.063
tors. eta vs tors. theta energy: -44.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -668.056908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.056908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.056908 (E_RNA)
where:
Base-Base interactions energy: -459.304
where: short stacking energy: -208.958
Base-Backbone interact. energy: -1.455
local terms energy: -207.298249
where:
bonds (distance) C4'-P energy: -34.673
bonds (distance) P-C4' energy: -52.424
flat angles C4'-P-C4' energy: -49.175
flat angles P-C4'-P energy: -27.732
tors. eta vs tors. theta energy: -43.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -599.768275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.768275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.768275 (E_RNA)
where:
Base-Base interactions energy: -382.416
where: short stacking energy: -177.383
Base-Backbone interact. energy: -0.172
local terms energy: -217.180776
where:
bonds (distance) C4'-P energy: -57.012
bonds (distance) P-C4' energy: -46.030
flat angles C4'-P-C4' energy: -47.403
flat angles P-C4'-P energy: -31.657
tors. eta vs tors. theta energy: -35.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -559.570127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.570127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.570127 (E_RNA)
where:
Base-Base interactions energy: -355.258
where: short stacking energy: -147.942
Base-Backbone interact. energy: 0.038
local terms energy: -204.350917
where:
bonds (distance) C4'-P energy: -44.900
bonds (distance) P-C4' energy: -49.924
flat angles C4'-P-C4' energy: -53.107
flat angles P-C4'-P energy: -22.314
tors. eta vs tors. theta energy: -34.106
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: 9
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -244.724894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.724894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.724894 (E_RNA)
where:
Base-Base interactions energy: -69.277
where: short stacking energy: -62.508
Base-Backbone interact. energy: -0.754
local terms energy: -174.694539
where:
bonds (distance) C4'-P energy: -49.900
bonds (distance) P-C4' energy: -51.113
flat angles C4'-P-C4' energy: -47.405
flat angles P-C4'-P energy: -24.908
tors. eta vs tors. theta energy: -1.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -238.082573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.082573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.082573 (E_RNA)
where:
Base-Base interactions energy: -85.586
where: short stacking energy: -79.162
Base-Backbone interact. energy: 4.070
local terms energy: -156.566965
where:
bonds (distance) C4'-P energy: -44.942
bonds (distance) P-C4' energy: -42.621
flat angles C4'-P-C4' energy: -41.468
flat angles P-C4'-P energy: -25.619
tors. eta vs tors. theta energy: -1.916
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: 4
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -925.259903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.259903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.259903 (E_RNA)
where:
Base-Base interactions energy: -639.651
where: short stacking energy: -280.798
Base-Backbone interact. energy: -1.066
local terms energy: -284.542625
where:
bonds (distance) C4'-P energy: -55.704
bonds (distance) P-C4' energy: -53.510
flat angles C4'-P-C4' energy: -58.030
flat angles P-C4'-P energy: -38.408
tors. eta vs tors. theta energy: -78.891
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: 1
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -886.579962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.579962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.579962 (E_RNA)
where:
Base-Base interactions energy: -615.156
where: short stacking energy: -259.343
Base-Backbone interact. energy: -1.488
local terms energy: -269.935990
where:
bonds (distance) C4'-P energy: -42.047
bonds (distance) P-C4' energy: -58.560
flat angles C4'-P-C4' energy: -54.192
flat angles P-C4'-P energy: -41.600
tors. eta vs tors. theta energy: -73.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -869.436137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.436137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.436137 (E_RNA)
where:
Base-Base interactions energy: -593.615
where: short stacking energy: -274.277
Base-Backbone interact. energy: -0.457
local terms energy: -275.364349
where:
bonds (distance) C4'-P energy: -38.693
bonds (distance) P-C4' energy: -58.005
flat angles C4'-P-C4' energy: -65.018
flat angles P-C4'-P energy: -42.049
tors. eta vs tors. theta energy: -71.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -804.189895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.189895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.189895 (E_RNA)
where:
Base-Base interactions energy: -548.845
where: short stacking energy: -222.259
Base-Backbone interact. energy: 0.665
local terms energy: -256.009785
where:
bonds (distance) C4'-P energy: -48.552
bonds (distance) P-C4' energy: -49.623
flat angles C4'-P-C4' energy: -48.882
flat angles P-C4'-P energy: -43.192
tors. eta vs tors. theta energy: -65.761
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: 5, replica: 7
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -680.367475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.367475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.367475 (E_RNA)
where:
Base-Base interactions energy: -462.406
where: short stacking energy: -202.298
Base-Backbone interact. energy: 0.268
local terms energy: -218.229892
where:
bonds (distance) C4'-P energy: -47.746
bonds (distance) P-C4' energy: -49.824
flat angles C4'-P-C4' energy: -49.770
flat angles P-C4'-P energy: -32.121
tors. eta vs tors. theta energy: -38.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -658.523174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.523174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.523174 (E_RNA)
where:
Base-Base interactions energy: -449.785
where: short stacking energy: -203.486
Base-Backbone interact. energy: 0.104
local terms energy: -208.842204
where:
bonds (distance) C4'-P energy: -38.808
bonds (distance) P-C4' energy: -47.954
flat angles C4'-P-C4' energy: -47.473
flat angles P-C4'-P energy: -32.377
tors. eta vs tors. theta energy: -42.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -594.841925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.841925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.841925 (E_RNA)
where:
Base-Base interactions energy: -366.722
where: short stacking energy: -159.412
Base-Backbone interact. energy: -1.262
local terms energy: -226.857783
where:
bonds (distance) C4'-P energy: -49.327
bonds (distance) P-C4' energy: -51.850
flat angles C4'-P-C4' energy: -37.718
flat angles P-C4'-P energy: -45.148
tors. eta vs tors. theta energy: -42.815
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: 8
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -565.196134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.196134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.196134 (E_RNA)
where:
Base-Base interactions energy: -359.799
where: short stacking energy: -135.790
Base-Backbone interact. energy: -1.558
local terms energy: -203.839321
where:
bonds (distance) C4'-P energy: -41.142
bonds (distance) P-C4' energy: -48.270
flat angles C4'-P-C4' energy: -55.232
flat angles P-C4'-P energy: -30.436
tors. eta vs tors. theta energy: -28.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -288.253673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.253673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.253673 (E_RNA)
where:
Base-Base interactions energy: -130.286
where: short stacking energy: -101.822
Base-Backbone interact. energy: 1.710
local terms energy: -159.677538
where:
bonds (distance) C4'-P energy: -43.977
bonds (distance) P-C4' energy: -42.933
flat angles C4'-P-C4' energy: -50.989
flat angles P-C4'-P energy: -15.668
tors. eta vs tors. theta energy: -6.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -241.345708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.345708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.345708 (E_RNA)
where:
Base-Base interactions energy: -97.466
where: short stacking energy: -96.719
Base-Backbone interact. energy: -0.759
local terms energy: -143.120758
where:
bonds (distance) C4'-P energy: -37.385
bonds (distance) P-C4' energy: -42.645
flat angles C4'-P-C4' energy: -32.332
flat angles P-C4'-P energy: -22.558
tors. eta vs tors. theta energy: -8.200
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: 4
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -924.064365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.064365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.064365 (E_RNA)
where:
Base-Base interactions energy: -640.706
where: short stacking energy: -279.132
Base-Backbone interact. energy: -1.471
local terms energy: -281.887441
where:
bonds (distance) C4'-P energy: -58.968
bonds (distance) P-C4' energy: -52.282
flat angles C4'-P-C4' energy: -59.046
flat angles P-C4'-P energy: -37.309
tors. eta vs tors. theta energy: -74.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -892.367494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.367494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.367494 (E_RNA)
where:
Base-Base interactions energy: -616.220
where: short stacking energy: -276.643
Base-Backbone interact. energy: -0.392
local terms energy: -275.755508
where:
bonds (distance) C4'-P energy: -50.812
bonds (distance) P-C4' energy: -48.791
flat angles C4'-P-C4' energy: -61.564
flat angles P-C4'-P energy: -37.066
tors. eta vs tors. theta energy: -77.522
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: 5
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -857.706119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.706119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.706119 (E_RNA)
where:
Base-Base interactions energy: -599.672
where: short stacking energy: -256.793
Base-Backbone interact. energy: -0.429
local terms energy: -257.605105
where:
bonds (distance) C4'-P energy: -46.177
bonds (distance) P-C4' energy: -44.818
flat angles C4'-P-C4' energy: -61.153
flat angles P-C4'-P energy: -31.613
tors. eta vs tors. theta energy: -73.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -801.694382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.694382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.694382 (E_RNA)
where:
Base-Base interactions energy: -554.028
where: short stacking energy: -232.436
Base-Backbone interact. energy: 0.363
local terms energy: -248.029449
where:
bonds (distance) C4'-P energy: -54.832
bonds (distance) P-C4' energy: -44.232
flat angles C4'-P-C4' energy: -54.943
flat angles P-C4'-P energy: -28.132
tors. eta vs tors. theta energy: -65.891
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: 7
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -689.794520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.794520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.794520 (E_RNA)
where:
Base-Base interactions energy: -449.930
where: short stacking energy: -191.865
Base-Backbone interact. energy: 0.942
local terms energy: -240.806449
where:
bonds (distance) C4'-P energy: -53.796
bonds (distance) P-C4' energy: -53.966
flat angles C4'-P-C4' energy: -46.614
flat angles P-C4'-P energy: -37.198
tors. eta vs tors. theta energy: -49.232
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: 255
Temperature: 1.150000
Total energy: -642.286021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.286021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.286021 (E_RNA)
where:
Base-Base interactions energy: -424.920
where: short stacking energy: -202.498
Base-Backbone interact. energy: -2.341
local terms energy: -215.024914
where:
bonds (distance) C4'-P energy: -35.019
bonds (distance) P-C4' energy: -45.431
flat angles C4'-P-C4' energy: -51.771
flat angles P-C4'-P energy: -37.239
tors. eta vs tors. theta energy: -45.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -624.264586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.264586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.264586 (E_RNA)
where:
Base-Base interactions energy: -417.825
where: short stacking energy: -189.400
Base-Backbone interact. energy: -0.304
local terms energy: -206.136033
where:
bonds (distance) C4'-P energy: -47.286
bonds (distance) P-C4' energy: -37.555
flat angles C4'-P-C4' energy: -48.630
flat angles P-C4'-P energy: -26.572
tors. eta vs tors. theta energy: -46.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -538.088471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.088471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.088471 (E_RNA)
where:
Base-Base interactions energy: -342.249
where: short stacking energy: -144.878
Base-Backbone interact. energy: 0.680
local terms energy: -196.519756
where:
bonds (distance) C4'-P energy: -38.455
bonds (distance) P-C4' energy: -42.713
flat angles C4'-P-C4' energy: -56.193
flat angles P-C4'-P energy: -26.149
tors. eta vs tors. theta energy: -33.009
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: 10
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -278.692341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.692341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.692341 (E_RNA)
where:
Base-Base interactions energy: -114.517
where: short stacking energy: -72.795
Base-Backbone interact. energy: -0.268
local terms energy: -163.906792
where:
bonds (distance) C4'-P energy: -53.500
bonds (distance) P-C4' energy: -55.590
flat angles C4'-P-C4' energy: -39.769
flat angles P-C4'-P energy: -14.586
tors. eta vs tors. theta energy: -0.461
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: 10, replica: 9
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -230.384032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.384032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.384032 (E_RNA)
where:
Base-Base interactions energy: -85.002
where: short stacking energy: -63.495
Base-Backbone interact. energy: 6.037
local terms energy: -151.419625
where:
bonds (distance) C4'-P energy: -43.294
bonds (distance) P-C4' energy: -47.250
flat angles C4'-P-C4' energy: -43.700
flat angles P-C4'-P energy: -18.927
tors. eta vs tors. theta energy: 1.751
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: 4
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -919.137639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.137639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.137639 (E_RNA)
where:
Base-Base interactions energy: -629.250
where: short stacking energy: -272.836
Base-Backbone interact. energy: -0.670
local terms energy: -289.218046
where:
bonds (distance) C4'-P energy: -55.289
bonds (distance) P-C4' energy: -49.075
flat angles C4'-P-C4' energy: -57.547
flat angles P-C4'-P energy: -50.448
tors. eta vs tors. theta energy: -76.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -894.566135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.566135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.566135 (E_RNA)
where:
Base-Base interactions energy: -619.035
where: short stacking energy: -279.114
Base-Backbone interact. energy: -0.622
local terms energy: -274.908884
where:
bonds (distance) C4'-P energy: -44.500
bonds (distance) P-C4' energy: -62.616
flat angles C4'-P-C4' energy: -63.353
flat angles P-C4'-P energy: -28.687
tors. eta vs tors. theta energy: -75.754
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: 3
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -829.120264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.120264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.120264 (E_RNA)
where:
Base-Base interactions energy: -566.537
where: short stacking energy: -246.654
Base-Backbone interact. energy: 1.826
local terms energy: -264.409475
where:
bonds (distance) C4'-P energy: -49.161
bonds (distance) P-C4' energy: -50.273
flat angles C4'-P-C4' energy: -54.412
flat angles P-C4'-P energy: -42.970
tors. eta vs tors. theta energy: -67.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -828.801897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.801897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.801897 (E_RNA)
where:
Base-Base interactions energy: -559.773
where: short stacking energy: -230.679
Base-Backbone interact. energy: -1.132
local terms energy: -267.897020
where:
bonds (distance) C4'-P energy: -48.517
bonds (distance) P-C4' energy: -50.127
flat angles C4'-P-C4' energy: -64.523
flat angles P-C4'-P energy: -36.827
tors. eta vs tors. theta energy: -67.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -700.186373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.186373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.186373 (E_RNA)
where:
Base-Base interactions energy: -486.861
where: short stacking energy: -222.991
Base-Backbone interact. energy: -0.487
local terms energy: -212.838491
where:
bonds (distance) C4'-P energy: -39.380
bonds (distance) P-C4' energy: -47.074
flat angles C4'-P-C4' energy: -47.434
flat angles P-C4'-P energy: -34.372
tors. eta vs tors. theta energy: -44.579
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: 2
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -659.589840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.589840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.589840 (E_RNA)
where:
Base-Base interactions energy: -436.467
where: short stacking energy: -207.916
Base-Backbone interact. energy: 1.198
local terms energy: -224.320543
where:
bonds (distance) C4'-P energy: -38.173
bonds (distance) P-C4' energy: -52.214
flat angles C4'-P-C4' energy: -50.906
flat angles P-C4'-P energy: -28.271
tors. eta vs tors. theta energy: -54.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -629.398773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.398773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.398773 (E_RNA)
where:
Base-Base interactions energy: -412.723
where: short stacking energy: -177.559
Base-Backbone interact. energy: -0.137
local terms energy: -216.538875
where:
bonds (distance) C4'-P energy: -56.061
bonds (distance) P-C4' energy: -51.267
flat angles C4'-P-C4' energy: -45.796
flat angles P-C4'-P energy: -29.627
tors. eta vs tors. theta energy: -33.787
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: 8, replica: 8
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -566.309310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.309310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.309310 (E_RNA)
where:
Base-Base interactions energy: -370.183
where: short stacking energy: -171.217
Base-Backbone interact. energy: -0.341
local terms energy: -195.785424
where:
bonds (distance) C4'-P energy: -40.635
bonds (distance) P-C4' energy: -43.572
flat angles C4'-P-C4' energy: -41.802
flat angles P-C4'-P energy: -39.974
tors. eta vs tors. theta energy: -29.803
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: 9, replica: 10
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -342.955635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.955635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.955635 (E_RNA)
where:
Base-Base interactions energy: -175.284
where: short stacking energy: -110.804
Base-Backbone interact. energy: 0.346
local terms energy: -168.017618
where:
bonds (distance) C4'-P energy: -34.545
bonds (distance) P-C4' energy: -44.500
flat angles C4'-P-C4' energy: -43.676
flat angles P-C4'-P energy: -25.254
tors. eta vs tors. theta energy: -20.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -229.191351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.191351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.191351 (E_RNA)
where:
Base-Base interactions energy: -83.070
where: short stacking energy: -70.816
Base-Backbone interact. energy: 0.043
local terms energy: -146.163616
where:
bonds (distance) C4'-P energy: -41.951
bonds (distance) P-C4' energy: -47.305
flat angles C4'-P-C4' energy: -39.702
flat angles P-C4'-P energy: -17.636
tors. eta vs tors. theta energy: 0.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -917.308026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.308026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.308026 (E_RNA)
where:
Base-Base interactions energy: -622.612
where: short stacking energy: -274.265
Base-Backbone interact. energy: -0.748
local terms energy: -293.947546
where:
bonds (distance) C4'-P energy: -53.028
bonds (distance) P-C4' energy: -55.448
flat angles C4'-P-C4' energy: -63.169
flat angles P-C4'-P energy: -48.597
tors. eta vs tors. theta energy: -73.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -896.682244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.682244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.682244 (E_RNA)
where:
Base-Base interactions energy: -622.326
where: short stacking energy: -264.647
Base-Backbone interact. energy: -2.456
local terms energy: -271.900814
where:
bonds (distance) C4'-P energy: -47.537
bonds (distance) P-C4' energy: -52.123
flat angles C4'-P-C4' energy: -62.723
flat angles P-C4'-P energy: -37.219
tors. eta vs tors. theta energy: -72.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -830.980738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.980738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.980738 (E_RNA)
where:
Base-Base interactions energy: -571.138
where: short stacking energy: -240.968
Base-Backbone interact. energy: -0.332
local terms energy: -259.510477
where:
bonds (distance) C4'-P energy: -50.978
bonds (distance) P-C4' energy: -58.937
flat angles C4'-P-C4' energy: -48.279
flat angles P-C4'-P energy: -37.704
tors. eta vs tors. theta energy: -63.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -817.505595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.505595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.505595 (E_RNA)
where:
Base-Base interactions energy: -556.588
where: short stacking energy: -241.330
Base-Backbone interact. energy: 2.675
local terms energy: -263.592745
where:
bonds (distance) C4'-P energy: -49.603
bonds (distance) P-C4' energy: -51.944
flat angles C4'-P-C4' energy: -56.982
flat angles P-C4'-P energy: -38.203
tors. eta vs tors. theta energy: -66.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -717.464118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.464118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.464118 (E_RNA)
where:
Base-Base interactions energy: -477.778
where: short stacking energy: -202.904
Base-Backbone interact. energy: 1.622
local terms energy: -241.308790
where:
bonds (distance) C4'-P energy: -50.297
bonds (distance) P-C4' energy: -46.627
flat angles C4'-P-C4' energy: -53.581
flat angles P-C4'-P energy: -37.999
tors. eta vs tors. theta energy: -52.805
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: 2
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -641.620005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.620005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.620005 (E_RNA)
where:
Base-Base interactions energy: -431.239
where: short stacking energy: -196.784
Base-Backbone interact. energy: 0.627
local terms energy: -211.007365
where:
bonds (distance) C4'-P energy: -38.163
bonds (distance) P-C4' energy: -42.868
flat angles C4'-P-C4' energy: -44.528
flat angles P-C4'-P energy: -38.297
tors. eta vs tors. theta energy: -47.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -626.679583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.679583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.679583 (E_RNA)
where:
Base-Base interactions energy: -430.380
where: short stacking energy: -175.907
Base-Backbone interact. energy: 0.915
local terms energy: -197.214386
where:
bonds (distance) C4'-P energy: -39.112
bonds (distance) P-C4' energy: -48.141
flat angles C4'-P-C4' energy: -41.737
flat angles P-C4'-P energy: -30.530
tors. eta vs tors. theta energy: -37.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -532.731059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.731059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.731059 (E_RNA)
where:
Base-Base interactions energy: -356.530
where: short stacking energy: -155.588
Base-Backbone interact. energy: -0.926
local terms energy: -175.275093
where:
bonds (distance) C4'-P energy: -51.804
bonds (distance) P-C4' energy: -37.767
flat angles C4'-P-C4' energy: -40.299
flat angles P-C4'-P energy: -23.287
tors. eta vs tors. theta energy: -22.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -306.104756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.104756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.104756 (E_RNA)
where:
Base-Base interactions energy: -148.246
where: short stacking energy: -110.671
Base-Backbone interact. energy: 3.037
local terms energy: -160.895113
where:
bonds (distance) C4'-P energy: -36.078
bonds (distance) P-C4' energy: -55.833
flat angles C4'-P-C4' energy: -39.800
flat angles P-C4'-P energy: -13.429
tors. eta vs tors. theta energy: -15.755
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: 10, replica: 9
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -225.072645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.072645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.072645 (E_RNA)
where:
Base-Base interactions energy: -114.075
where: short stacking energy: -67.741
Base-Backbone interact. energy: 3.333
local terms energy: -114.330463
where:
bonds (distance) C4'-P energy: -33.350
bonds (distance) P-C4' energy: -39.533
flat angles C4'-P-C4' energy: -38.147
flat angles P-C4'-P energy: -12.855
tors. eta vs tors. theta energy: 9.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -903.902272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.902272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.902272 (E_RNA)
where:
Base-Base interactions energy: -620.537
where: short stacking energy: -277.519
Base-Backbone interact. energy: -1.008
local terms energy: -282.356780
where:
bonds (distance) C4'-P energy: -53.983
bonds (distance) P-C4' energy: -58.484
flat angles C4'-P-C4' energy: -56.596
flat angles P-C4'-P energy: -42.599
tors. eta vs tors. theta energy: -70.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -892.912426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.912426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.912426 (E_RNA)
where:
Base-Base interactions energy: -617.309
where: short stacking energy: -261.964
Base-Backbone interact. energy: -0.724
local terms energy: -274.879924
where:
bonds (distance) C4'-P energy: -56.056
bonds (distance) P-C4' energy: -53.926
flat angles C4'-P-C4' energy: -54.695
flat angles P-C4'-P energy: -41.531
tors. eta vs tors. theta energy: -68.671
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: 3
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -838.998799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.998799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.998799 (E_RNA)
where:
Base-Base interactions energy: -565.574
where: short stacking energy: -261.399
Base-Backbone interact. energy: -2.577
local terms energy: -270.847507
where:
bonds (distance) C4'-P energy: -50.797
bonds (distance) P-C4' energy: -47.625
flat angles C4'-P-C4' energy: -62.884
flat angles P-C4'-P energy: -43.151
tors. eta vs tors. theta energy: -66.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -804.361434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.361434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.361434 (E_RNA)
where:
Base-Base interactions energy: -540.789
where: short stacking energy: -231.602
Base-Backbone interact. energy: -1.555
local terms energy: -262.017624
where:
bonds (distance) C4'-P energy: -48.337
bonds (distance) P-C4' energy: -53.144
flat angles C4'-P-C4' energy: -53.810
flat angles P-C4'-P energy: -37.616
tors. eta vs tors. theta energy: -69.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -694.047099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.047099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.047099 (E_RNA)
where:
Base-Base interactions energy: -445.971
where: short stacking energy: -195.542
Base-Backbone interact. energy: -1.275
local terms energy: -246.801483
where:
bonds (distance) C4'-P energy: -50.483
bonds (distance) P-C4' energy: -56.020
flat angles C4'-P-C4' energy: -51.001
flat angles P-C4'-P energy: -38.831
tors. eta vs tors. theta energy: -50.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -668.731840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.731840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.731840 (E_RNA)
where:
Base-Base interactions energy: -447.598
where: short stacking energy: -191.168
Base-Backbone interact. energy: -0.231
local terms energy: -220.903523
where:
bonds (distance) C4'-P energy: -42.333
bonds (distance) P-C4' energy: -50.113
flat angles C4'-P-C4' energy: -53.356
flat angles P-C4'-P energy: -28.390
tors. eta vs tors. theta energy: -46.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -663.841207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.841207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.841207 (E_RNA)
where:
Base-Base interactions energy: -469.088
where: short stacking energy: -204.469
Base-Backbone interact. energy: -3.069
local terms energy: -191.684012
where:
bonds (distance) C4'-P energy: -34.666
bonds (distance) P-C4' energy: -36.086
flat angles C4'-P-C4' energy: -39.173
flat angles P-C4'-P energy: -24.114
tors. eta vs tors. theta energy: -57.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -572.975595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.975595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.975595 (E_RNA)
where:
Base-Base interactions energy: -387.412
where: short stacking energy: -165.114
Base-Backbone interact. energy: -2.279
local terms energy: -183.284905
where:
bonds (distance) C4'-P energy: -38.908
bonds (distance) P-C4' energy: -48.800
flat angles C4'-P-C4' energy: -46.444
flat angles P-C4'-P energy: -24.142
tors. eta vs tors. theta energy: -24.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -268.710993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.710993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.710993 (E_RNA)
where:
Base-Base interactions energy: -114.508
where: short stacking energy: -69.200
Base-Backbone interact. energy: 2.998
local terms energy: -157.201066
where:
bonds (distance) C4'-P energy: -48.823
bonds (distance) P-C4' energy: -34.227
flat angles C4'-P-C4' energy: -49.393
flat angles P-C4'-P energy: -26.933
tors. eta vs tors. theta energy: 2.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -238.318428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.318428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.318428 (E_RNA)
where:
Base-Base interactions energy: -107.578
where: short stacking energy: -66.030
Base-Backbone interact. energy: -0.505
local terms energy: -130.235087
where:
bonds (distance) C4'-P energy: -40.802
bonds (distance) P-C4' energy: -45.322
flat angles C4'-P-C4' energy: -37.432
flat angles P-C4'-P energy: -20.327
tors. eta vs tors. theta energy: 13.648
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: 1, replica: 4
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -910.223510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.223510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.223510 (E_RNA)
where:
Base-Base interactions energy: -632.102
where: short stacking energy: -277.158
Base-Backbone interact. energy: -1.538
local terms energy: -276.583262
where:
bonds (distance) C4'-P energy: -48.135
bonds (distance) P-C4' energy: -54.432
flat angles C4'-P-C4' energy: -59.903
flat angles P-C4'-P energy: -38.010
tors. eta vs tors. theta energy: -76.103
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: 3
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -856.777029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.777029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.777029 (E_RNA)
where:
Base-Base interactions energy: -586.057
where: short stacking energy: -269.197
Base-Backbone interact. energy: -0.786
local terms energy: -269.933812
where:
bonds (distance) C4'-P energy: -47.126
bonds (distance) P-C4' energy: -61.513
flat angles C4'-P-C4' energy: -56.124
flat angles P-C4'-P energy: -33.151
tors. eta vs tors. theta energy: -72.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -869.545537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.545537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.545537 (E_RNA)
where:
Base-Base interactions energy: -605.076
where: short stacking energy: -243.185
Base-Backbone interact. energy: 1.506
local terms energy: -265.976101
where:
bonds (distance) C4'-P energy: -45.881
bonds (distance) P-C4' energy: -49.988
flat angles C4'-P-C4' energy: -60.390
flat angles P-C4'-P energy: -43.522
tors. eta vs tors. theta energy: -66.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -809.949549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.949549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.949549 (E_RNA)
where:
Base-Base interactions energy: -549.053
where: short stacking energy: -237.882
Base-Backbone interact. energy: -1.318
local terms energy: -259.577939
where:
bonds (distance) C4'-P energy: -50.803
bonds (distance) P-C4' energy: -51.805
flat angles C4'-P-C4' energy: -58.829
flat angles P-C4'-P energy: -32.481
tors. eta vs tors. theta energy: -65.661
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: 2
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -704.944666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.944666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.944666 (E_RNA)
where:
Base-Base interactions energy: -449.338
where: short stacking energy: -209.323
Base-Backbone interact. energy: -0.072
local terms energy: -255.534080
where:
bonds (distance) C4'-P energy: -53.463
bonds (distance) P-C4' energy: -52.977
flat angles C4'-P-C4' energy: -49.681
flat angles P-C4'-P energy: -40.308
tors. eta vs tors. theta energy: -59.105
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: 6, replica: 7
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -663.779789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.779789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.779789 (E_RNA)
where:
Base-Base interactions energy: -419.968
where: short stacking energy: -196.279
Base-Backbone interact. energy: 0.556
local terms energy: -244.367543
where:
bonds (distance) C4'-P energy: -50.597
bonds (distance) P-C4' energy: -49.784
flat angles C4'-P-C4' energy: -52.315
flat angles P-C4'-P energy: -38.429
tors. eta vs tors. theta energy: -53.243
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: 6
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -648.284160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.284160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.284160 (E_RNA)
where:
Base-Base interactions energy: -441.822
where: short stacking energy: -197.399
Base-Backbone interact. energy: -0.231
local terms energy: -206.230489
where:
bonds (distance) C4'-P energy: -42.970
bonds (distance) P-C4' energy: -47.487
flat angles C4'-P-C4' energy: -42.081
flat angles P-C4'-P energy: -28.066
tors. eta vs tors. theta energy: -45.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -572.489500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.489500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.489500 (E_RNA)
where:
Base-Base interactions energy: -359.211
where: short stacking energy: -179.700
Base-Backbone interact. energy: -0.868
local terms energy: -212.410058
where:
bonds (distance) C4'-P energy: -39.839
bonds (distance) P-C4' energy: -51.202
flat angles C4'-P-C4' energy: -50.708
flat angles P-C4'-P energy: -29.223
tors. eta vs tors. theta energy: -41.437
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: 10
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -253.081615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.081615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.081615 (E_RNA)
where:
Base-Base interactions energy: -116.574
where: short stacking energy: -80.790
Base-Backbone interact. energy: -1.090
local terms energy: -135.416953
where:
bonds (distance) C4'-P energy: -37.889
bonds (distance) P-C4' energy: -32.279
flat angles C4'-P-C4' energy: -36.652
flat angles P-C4'-P energy: -23.361
tors. eta vs tors. theta energy: -5.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -226.353236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.353236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.353236 (E_RNA)
where:
Base-Base interactions energy: -82.210
where: short stacking energy: -73.577
Base-Backbone interact. energy: 5.881
local terms energy: -150.025140
where:
bonds (distance) C4'-P energy: -37.926
bonds (distance) P-C4' energy: -47.265
flat angles C4'-P-C4' energy: -46.211
flat angles P-C4'-P energy: -32.997
tors. eta vs tors. theta energy: 14.374
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: 1, replica: 4
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -925.152893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.152893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.152893 (E_RNA)
where:
Base-Base interactions energy: -645.423
where: short stacking energy: -275.580
Base-Backbone interact. energy: 4.028
local terms energy: -283.757928
where:
bonds (distance) C4'-P energy: -50.113
bonds (distance) P-C4' energy: -54.659
flat angles C4'-P-C4' energy: -60.291
flat angles P-C4'-P energy: -43.311
tors. eta vs tors. theta energy: -75.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -839.041133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.041133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.041133 (E_RNA)
where:
Base-Base interactions energy: -573.101
where: short stacking energy: -244.972
Base-Backbone interact. energy: -0.772
local terms energy: -265.167291
where:
bonds (distance) C4'-P energy: -57.415
bonds (distance) P-C4' energy: -49.918
flat angles C4'-P-C4' energy: -56.181
flat angles P-C4'-P energy: -41.029
tors. eta vs tors. theta energy: -60.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -839.397184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.397184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.397184 (E_RNA)
where:
Base-Base interactions energy: -572.639
where: short stacking energy: -242.787
Base-Backbone interact. energy: -1.241
local terms energy: -265.517461
where:
bonds (distance) C4'-P energy: -52.826
bonds (distance) P-C4' energy: -46.846
flat angles C4'-P-C4' energy: -59.761
flat angles P-C4'-P energy: -43.914
tors. eta vs tors. theta energy: -62.171
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: 5
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -824.624882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.624882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.624882 (E_RNA)
where:
Base-Base interactions energy: -574.164
where: short stacking energy: -240.336
Base-Backbone interact. energy: -0.637
local terms energy: -249.823823
where:
bonds (distance) C4'-P energy: -42.376
bonds (distance) P-C4' energy: -49.098
flat angles C4'-P-C4' energy: -53.484
flat angles P-C4'-P energy: -34.878
tors. eta vs tors. theta energy: -69.988
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: 7
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -723.525283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.525283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.525283 (E_RNA)
where:
Base-Base interactions energy: -501.948
where: short stacking energy: -213.239
Base-Backbone interact. energy: 5.493
local terms energy: -227.069956
where:
bonds (distance) C4'-P energy: -46.488
bonds (distance) P-C4' energy: -45.200
flat angles C4'-P-C4' energy: -49.582
flat angles P-C4'-P energy: -39.922
tors. eta vs tors. theta energy: -45.877
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: 6, replica: 2
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -682.740170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.740170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.740170 (E_RNA)
where:
Base-Base interactions energy: -449.855
where: short stacking energy: -199.635
Base-Backbone interact. energy: -0.021
local terms energy: -232.863928
where:
bonds (distance) C4'-P energy: -49.176
bonds (distance) P-C4' energy: -42.621
flat angles C4'-P-C4' energy: -55.230
flat angles P-C4'-P energy: -38.360
tors. eta vs tors. theta energy: -47.478
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: 6
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -626.285101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.285101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.285101 (E_RNA)
where:
Base-Base interactions energy: -422.766
where: short stacking energy: -183.410
Base-Backbone interact. energy: -1.870
local terms energy: -201.649224
where:
bonds (distance) C4'-P energy: -46.599
bonds (distance) P-C4' energy: -46.423
flat angles C4'-P-C4' energy: -39.073
flat angles P-C4'-P energy: -28.003
tors. eta vs tors. theta energy: -41.551
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: 8, replica: 8
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -541.088628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.088628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.088628 (E_RNA)
where:
Base-Base interactions energy: -358.233
where: short stacking energy: -150.368
Base-Backbone interact. energy: -0.706
local terms energy: -182.150290
where:
bonds (distance) C4'-P energy: -36.842
bonds (distance) P-C4' energy: -41.982
flat angles C4'-P-C4' energy: -49.126
flat angles P-C4'-P energy: -24.080
tors. eta vs tors. theta energy: -30.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -224.442987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.442987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.442987 (E_RNA)
where:
Base-Base interactions energy: -89.458
where: short stacking energy: -60.602
Base-Backbone interact. energy: 1.147
local terms energy: -136.132347
where:
bonds (distance) C4'-P energy: -51.143
bonds (distance) P-C4' energy: -35.543
flat angles C4'-P-C4' energy: -31.152
flat angles P-C4'-P energy: -30.785
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: 10, replica: 10
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -218.444860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.444860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.444860 (E_RNA)
where:
Base-Base interactions energy: -72.288
where: short stacking energy: -65.599
Base-Backbone interact. energy: -0.973
local terms energy: -145.183354
where:
bonds (distance) C4'-P energy: -41.141
bonds (distance) P-C4' energy: -45.028
flat angles C4'-P-C4' energy: -35.030
flat angles P-C4'-P energy: -32.262
tors. eta vs tors. theta energy: 8.278
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: 1, replica: 4
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -924.464953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.464953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.464953 (E_RNA)
where:
Base-Base interactions energy: -632.508
where: short stacking energy: -276.389
Base-Backbone interact. energy: -2.726
local terms energy: -289.230355
where:
bonds (distance) C4'-P energy: -57.178
bonds (distance) P-C4' energy: -58.743
flat angles C4'-P-C4' energy: -60.961
flat angles P-C4'-P energy: -38.780
tors. eta vs tors. theta energy: -73.569
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: 1
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -882.427994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.427994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.427994 (E_RNA)
where:
Base-Base interactions energy: -599.915
where: short stacking energy: -267.943
Base-Backbone interact. energy: -0.713
local terms energy: -281.800393
where:
bonds (distance) C4'-P energy: -51.117
bonds (distance) P-C4' energy: -50.863
flat angles C4'-P-C4' energy: -62.230
flat angles P-C4'-P energy: -40.214
tors. eta vs tors. theta energy: -77.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -851.281071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.281071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.281071 (E_RNA)
where:
Base-Base interactions energy: -583.479
where: short stacking energy: -256.063
Base-Backbone interact. energy: -0.914
local terms energy: -266.887793
where:
bonds (distance) C4'-P energy: -47.445
bonds (distance) P-C4' energy: -55.358
flat angles C4'-P-C4' energy: -56.958
flat angles P-C4'-P energy: -34.202
tors. eta vs tors. theta energy: -72.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -811.096694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.096694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.096694 (E_RNA)
where:
Base-Base interactions energy: -562.947
where: short stacking energy: -232.876
Base-Backbone interact. energy: -1.430
local terms energy: -246.719821
where:
bonds (distance) C4'-P energy: -51.454
bonds (distance) P-C4' energy: -46.675
flat angles C4'-P-C4' energy: -55.977
flat angles P-C4'-P energy: -26.540
tors. eta vs tors. theta energy: -66.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -712.573857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.573857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.573857 (E_RNA)
where:
Base-Base interactions energy: -457.727
where: short stacking energy: -206.582
Base-Backbone interact. energy: -0.984
local terms energy: -253.862309
where:
bonds (distance) C4'-P energy: -57.141
bonds (distance) P-C4' energy: -43.820
flat angles C4'-P-C4' energy: -54.468
flat angles P-C4'-P energy: -36.440
tors. eta vs tors. theta energy: -61.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -661.214136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.214136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.214136 (E_RNA)
where:
Base-Base interactions energy: -436.530
where: short stacking energy: -184.466
Base-Backbone interact. energy: -1.111
local terms energy: -223.573213
where:
bonds (distance) C4'-P energy: -47.697
bonds (distance) P-C4' energy: -51.758
flat angles C4'-P-C4' energy: -44.721
flat angles P-C4'-P energy: -39.315
tors. eta vs tors. theta energy: -40.081
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: 2
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -620.751308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.751308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.751308 (E_RNA)
where:
Base-Base interactions energy: -416.565
where: short stacking energy: -183.038
Base-Backbone interact. energy: -1.398
local terms energy: -202.788031
where:
bonds (distance) C4'-P energy: -46.103
bonds (distance) P-C4' energy: -37.201
flat angles C4'-P-C4' energy: -45.940
flat angles P-C4'-P energy: -33.129
tors. eta vs tors. theta energy: -40.415
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: 8
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -556.698726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.698726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.698726 (E_RNA)
where:
Base-Base interactions energy: -360.657
where: short stacking energy: -172.422
Base-Backbone interact. energy: -0.407
local terms energy: -195.634468
where:
bonds (distance) C4'-P energy: -46.935
bonds (distance) P-C4' energy: -43.430
flat angles C4'-P-C4' energy: -40.750
flat angles P-C4'-P energy: -28.940
tors. eta vs tors. theta energy: -35.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -290.024534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.024534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.024534 (E_RNA)
where:
Base-Base interactions energy: -132.011
where: short stacking energy: -104.596
Base-Backbone interact. energy: -1.924
local terms energy: -156.089526
where:
bonds (distance) C4'-P energy: -44.842
bonds (distance) P-C4' energy: -43.591
flat angles C4'-P-C4' energy: -39.829
flat angles P-C4'-P energy: -24.529
tors. eta vs tors. theta energy: -3.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -210.227108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.227108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.227108 (E_RNA)
where:
Base-Base interactions energy: -76.811
where: short stacking energy: -69.701
Base-Backbone interact. energy: -0.359
local terms energy: -133.057621
where:
bonds (distance) C4'-P energy: -50.015
bonds (distance) P-C4' energy: -43.254
flat angles C4'-P-C4' energy: -37.175
flat angles P-C4'-P energy: -11.152
tors. eta vs tors. theta energy: 8.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -895.596154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.596154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.596154 (E_RNA)
where:
Base-Base interactions energy: -596.925
where: short stacking energy: -268.750
Base-Backbone interact. energy: -0.149
local terms energy: -298.522667
where:
bonds (distance) C4'-P energy: -51.378
bonds (distance) P-C4' energy: -57.409
flat angles C4'-P-C4' energy: -63.317
flat angles P-C4'-P energy: -49.807
tors. eta vs tors. theta energy: -76.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -894.391804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.391804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.391804 (E_RNA)
where:
Base-Base interactions energy: -614.922
where: short stacking energy: -276.329
Base-Backbone interact. energy: -1.426
local terms energy: -278.043451
where:
bonds (distance) C4'-P energy: -46.711
bonds (distance) P-C4' energy: -52.274
flat angles C4'-P-C4' energy: -58.685
flat angles P-C4'-P energy: -43.822
tors. eta vs tors. theta energy: -76.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -842.581450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.581450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.581450 (E_RNA)
where:
Base-Base interactions energy: -580.859
where: short stacking energy: -264.346
Base-Backbone interact. energy: 0.418
local terms energy: -262.140786
where:
bonds (distance) C4'-P energy: -53.763
bonds (distance) P-C4' energy: -46.454
flat angles C4'-P-C4' energy: -48.477
flat angles P-C4'-P energy: -40.677
tors. eta vs tors. theta energy: -72.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -796.386122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.386122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.386122 (E_RNA)
where:
Base-Base interactions energy: -553.860
where: short stacking energy: -238.276
Base-Backbone interact. energy: -0.453
local terms energy: -242.073188
where:
bonds (distance) C4'-P energy: -51.231
bonds (distance) P-C4' energy: -38.082
flat angles C4'-P-C4' energy: -49.502
flat angles P-C4'-P energy: -40.755
tors. eta vs tors. theta energy: -62.503
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: 6
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -730.488845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.488845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.488845 (E_RNA)
where:
Base-Base interactions energy: -484.491
where: short stacking energy: -225.199
Base-Backbone interact. energy: 0.635
local terms energy: -246.633339
where:
bonds (distance) C4'-P energy: -50.098
bonds (distance) P-C4' energy: -43.354
flat angles C4'-P-C4' energy: -55.949
flat angles P-C4'-P energy: -33.086
tors. eta vs tors. theta energy: -64.145
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: 7
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -671.734087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.734087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.734087 (E_RNA)
where:
Base-Base interactions energy: -450.134
where: short stacking energy: -187.810
Base-Backbone interact. energy: -0.518
local terms energy: -221.082639
where:
bonds (distance) C4'-P energy: -50.403
bonds (distance) P-C4' energy: -43.066
flat angles C4'-P-C4' energy: -56.812
flat angles P-C4'-P energy: -30.763
tors. eta vs tors. theta energy: -40.038
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: 7, replica: 2
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -607.594853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.594853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.594853 (E_RNA)
where:
Base-Base interactions energy: -390.099
where: short stacking energy: -186.017
Base-Backbone interact. energy: -0.260
local terms energy: -217.235115
where:
bonds (distance) C4'-P energy: -38.485
bonds (distance) P-C4' energy: -48.427
flat angles C4'-P-C4' energy: -53.812
flat angles P-C4'-P energy: -36.888
tors. eta vs tors. theta energy: -39.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -585.725056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.725056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.725056 (E_RNA)
where:
Base-Base interactions energy: -377.972
where: short stacking energy: -182.220
Base-Backbone interact. energy: -0.302
local terms energy: -207.451222
where:
bonds (distance) C4'-P energy: -42.882
bonds (distance) P-C4' energy: -48.579
flat angles C4'-P-C4' energy: -48.874
flat angles P-C4'-P energy: -28.632
tors. eta vs tors. theta energy: -38.485
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: 10
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -266.039135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.039135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.039135 (E_RNA)
where:
Base-Base interactions energy: -117.317
where: short stacking energy: -69.811
Base-Backbone interact. energy: -0.984
local terms energy: -147.738208
where:
bonds (distance) C4'-P energy: -42.124
bonds (distance) P-C4' energy: -44.332
flat angles C4'-P-C4' energy: -46.246
flat angles P-C4'-P energy: -24.602
tors. eta vs tors. theta energy: 9.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -226.561932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.561932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.561932 (E_RNA)
where:
Base-Base interactions energy: -90.081
where: short stacking energy: -54.635
Base-Backbone interact. energy: 3.741
local terms energy: -140.221727
where:
bonds (distance) C4'-P energy: -38.715
bonds (distance) P-C4' energy: -49.031
flat angles C4'-P-C4' energy: -30.063
flat angles P-C4'-P energy: -32.268
tors. eta vs tors. theta energy: 9.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -901.034408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.034408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.034408 (E_RNA)
where:
Base-Base interactions energy: -635.333
where: short stacking energy: -271.675
Base-Backbone interact. energy: -0.290
local terms energy: -265.411708
where:
bonds (distance) C4'-P energy: -47.877
bonds (distance) P-C4' energy: -49.520
flat angles C4'-P-C4' energy: -56.344
flat angles P-C4'-P energy: -33.406
tors. eta vs tors. theta energy: -78.264
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: 2, replica: 3
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -860.990326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.990326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.990326 (E_RNA)
where:
Base-Base interactions energy: -587.682
where: short stacking energy: -258.725
Base-Backbone interact. energy: -0.694
local terms energy: -272.614550
where:
bonds (distance) C4'-P energy: -51.354
bonds (distance) P-C4' energy: -51.748
flat angles C4'-P-C4' energy: -64.929
flat angles P-C4'-P energy: -35.674
tors. eta vs tors. theta energy: -68.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -886.856127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.856127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.856127 (E_RNA)
where:
Base-Base interactions energy: -616.210
where: short stacking energy: -257.660
Base-Backbone interact. energy: -0.465
local terms energy: -270.181327
where:
bonds (distance) C4'-P energy: -49.754
bonds (distance) P-C4' energy: -50.277
flat angles C4'-P-C4' energy: -56.022
flat angles P-C4'-P energy: -44.273
tors. eta vs tors. theta energy: -69.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -828.403114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.403114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.403114 (E_RNA)
where:
Base-Base interactions energy: -568.638
where: short stacking energy: -242.374
Base-Backbone interact. energy: -0.575
local terms energy: -259.189887
where:
bonds (distance) C4'-P energy: -41.675
bonds (distance) P-C4' energy: -52.895
flat angles C4'-P-C4' energy: -61.248
flat angles P-C4'-P energy: -38.545
tors. eta vs tors. theta energy: -64.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -759.869809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.869809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.869809 (E_RNA)
where:
Base-Base interactions energy: -520.727
where: short stacking energy: -228.771
Base-Backbone interact. energy: -0.086
local terms energy: -239.056299
where:
bonds (distance) C4'-P energy: -41.693
bonds (distance) P-C4' energy: -47.992
flat angles C4'-P-C4' energy: -60.767
flat angles P-C4'-P energy: -30.173
tors. eta vs tors. theta energy: -58.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -689.295559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.295559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.295559 (E_RNA)
where:
Base-Base interactions energy: -475.690
where: short stacking energy: -207.364
Base-Backbone interact. energy: -1.463
local terms energy: -212.143147
where:
bonds (distance) C4'-P energy: -44.943
bonds (distance) P-C4' energy: -45.902
flat angles C4'-P-C4' energy: -41.131
flat angles P-C4'-P energy: -35.185
tors. eta vs tors. theta energy: -44.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -597.807587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.807587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.807587 (E_RNA)
where:
Base-Base interactions energy: -389.945
where: short stacking energy: -170.806
Base-Backbone interact. energy: -1.744
local terms energy: -206.118221
where:
bonds (distance) C4'-P energy: -44.424
bonds (distance) P-C4' energy: -46.076
flat angles C4'-P-C4' energy: -47.834
flat angles P-C4'-P energy: -33.935
tors. eta vs tors. theta energy: -33.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -561.173721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.173721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.173721 (E_RNA)
where:
Base-Base interactions energy: -366.824
where: short stacking energy: -169.101
Base-Backbone interact. energy: 1.202
local terms energy: -195.552242
where:
bonds (distance) C4'-P energy: -27.664
bonds (distance) P-C4' energy: -53.853
flat angles C4'-P-C4' energy: -50.713
flat angles P-C4'-P energy: -26.528
tors. eta vs tors. theta energy: -36.795
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: 10
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -302.241036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.241036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.241036 (E_RNA)
where:
Base-Base interactions energy: -128.796
where: short stacking energy: -93.620
Base-Backbone interact. energy: 0.432
local terms energy: -173.877071
where:
bonds (distance) C4'-P energy: -48.784
bonds (distance) P-C4' energy: -45.969
flat angles C4'-P-C4' energy: -51.566
flat angles P-C4'-P energy: -27.016
tors. eta vs tors. theta energy: -0.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -219.813551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.813551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.813551 (E_RNA)
where:
Base-Base interactions energy: -70.983
where: short stacking energy: -58.240
Base-Backbone interact. energy: 0.617
local terms energy: -149.448300
where:
bonds (distance) C4'-P energy: -50.280
bonds (distance) P-C4' energy: -49.140
flat angles C4'-P-C4' energy: -31.120
flat angles P-C4'-P energy: -24.262
tors. eta vs tors. theta energy: 5.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -892.299665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.299665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.299665 (E_RNA)
where:
Base-Base interactions energy: -617.171
where: short stacking energy: -274.596
Base-Backbone interact. energy: -1.691
local terms energy: -273.437309
where:
bonds (distance) C4'-P energy: -51.682
bonds (distance) P-C4' energy: -51.327
flat angles C4'-P-C4' energy: -57.789
flat angles P-C4'-P energy: -35.236
tors. eta vs tors. theta energy: -77.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -876.303936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.303936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.303936 (E_RNA)
where:
Base-Base interactions energy: -602.475
where: short stacking energy: -260.558
Base-Backbone interact. energy: 0.543
local terms energy: -274.371939
where:
bonds (distance) C4'-P energy: -55.681
bonds (distance) P-C4' energy: -46.278
flat angles C4'-P-C4' energy: -60.201
flat angles P-C4'-P energy: -44.752
tors. eta vs tors. theta energy: -67.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -877.567527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.567527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.567527 (E_RNA)
where:
Base-Base interactions energy: -610.877
where: short stacking energy: -270.198
Base-Backbone interact. energy: -0.093
local terms energy: -266.597788
where:
bonds (distance) C4'-P energy: -42.369
bonds (distance) P-C4' energy: -46.459
flat angles C4'-P-C4' energy: -63.984
flat angles P-C4'-P energy: -43.164
tors. eta vs tors. theta energy: -70.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -854.442112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.442112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.442112 (E_RNA)
where:
Base-Base interactions energy: -580.037
where: short stacking energy: -255.468
Base-Backbone interact. energy: 1.031
local terms energy: -275.436019
where:
bonds (distance) C4'-P energy: -47.785
bonds (distance) P-C4' energy: -58.370
flat angles C4'-P-C4' energy: -56.176
flat angles P-C4'-P energy: -41.766
tors. eta vs tors. theta energy: -71.338
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: 5, replica: 6
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -726.791421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.791421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.791421 (E_RNA)
where:
Base-Base interactions energy: -487.808
where: short stacking energy: -214.138
Base-Backbone interact. energy: -0.562
local terms energy: -238.421001
where:
bonds (distance) C4'-P energy: -45.469
bonds (distance) P-C4' energy: -47.185
flat angles C4'-P-C4' energy: -55.409
flat angles P-C4'-P energy: -35.866
tors. eta vs tors. theta energy: -54.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -655.482138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.482138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.482138 (E_RNA)
where:
Base-Base interactions energy: -440.693
where: short stacking energy: -204.410
Base-Backbone interact. energy: -1.535
local terms energy: -213.253794
where:
bonds (distance) C4'-P energy: -50.141
bonds (distance) P-C4' energy: -47.330
flat angles C4'-P-C4' energy: -46.415
flat angles P-C4'-P energy: -25.534
tors. eta vs tors. theta energy: -43.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -580.613838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.613838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.613838 (E_RNA)
where:
Base-Base interactions energy: -377.028
where: short stacking energy: -155.505
Base-Backbone interact. energy: -0.933
local terms energy: -202.652686
where:
bonds (distance) C4'-P energy: -42.909
bonds (distance) P-C4' energy: -46.477
flat angles C4'-P-C4' energy: -53.870
flat angles P-C4'-P energy: -24.493
tors. eta vs tors. theta energy: -34.903
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: 8
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -583.267762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.267762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.267762 (E_RNA)
where:
Base-Base interactions energy: -362.795
where: short stacking energy: -174.353
Base-Backbone interact. energy: -0.217
local terms energy: -220.255351
where:
bonds (distance) C4'-P energy: -39.149
bonds (distance) P-C4' energy: -58.819
flat angles C4'-P-C4' energy: -50.426
flat angles P-C4'-P energy: -29.870
tors. eta vs tors. theta energy: -41.991
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: 10
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -251.120147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.120147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.120147 (E_RNA)
where:
Base-Base interactions energy: -80.464
where: short stacking energy: -66.430
Base-Backbone interact. energy: -1.208
local terms energy: -169.448457
where:
bonds (distance) C4'-P energy: -40.980
bonds (distance) P-C4' energy: -53.286
flat angles C4'-P-C4' energy: -49.865
flat angles P-C4'-P energy: -27.772
tors. eta vs tors. theta energy: 2.454
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: 9
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -246.356635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.356635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.356635 (E_RNA)
where:
Base-Base interactions energy: -103.553
where: short stacking energy: -87.539
Base-Backbone interact. energy: -1.215
local terms energy: -141.589121
where:
bonds (distance) C4'-P energy: -44.808
bonds (distance) P-C4' energy: -54.830
flat angles C4'-P-C4' energy: -34.024
flat angles P-C4'-P energy: -16.636
tors. eta vs tors. theta energy: 8.709
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: 1
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -901.655916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.655916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.655916 (E_RNA)
where:
Base-Base interactions energy: -619.374
where: short stacking energy: -269.929
Base-Backbone interact. energy: -1.208
local terms energy: -281.073052
where:
bonds (distance) C4'-P energy: -48.042
bonds (distance) P-C4' energy: -55.300
flat angles C4'-P-C4' energy: -62.571
flat angles P-C4'-P energy: -38.679
tors. eta vs tors. theta energy: -76.482
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: 3
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -903.266783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.266783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.266783 (E_RNA)
where:
Base-Base interactions energy: -621.267
where: short stacking energy: -274.926
Base-Backbone interact. energy: 0.324
local terms energy: -282.323643
where:
bonds (distance) C4'-P energy: -44.918
bonds (distance) P-C4' energy: -54.441
flat angles C4'-P-C4' energy: -60.773
flat angles P-C4'-P energy: -47.097
tors. eta vs tors. theta energy: -75.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -846.967215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.967215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.967215 (E_RNA)
where:
Base-Base interactions energy: -597.011
where: short stacking energy: -247.565
Base-Backbone interact. energy: 0.660
local terms energy: -250.616438
where:
bonds (distance) C4'-P energy: -46.228
bonds (distance) P-C4' energy: -48.973
flat angles C4'-P-C4' energy: -51.271
flat angles P-C4'-P energy: -34.804
tors. eta vs tors. theta energy: -69.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -849.663370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.663370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.663370 (E_RNA)
where:
Base-Base interactions energy: -583.988
where: short stacking energy: -254.724
Base-Backbone interact. energy: -1.043
local terms energy: -264.632449
where:
bonds (distance) C4'-P energy: -49.558
bonds (distance) P-C4' energy: -54.197
flat angles C4'-P-C4' energy: -57.049
flat angles P-C4'-P energy: -38.994
tors. eta vs tors. theta energy: -64.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -704.297157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.297157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.297157 (E_RNA)
where:
Base-Base interactions energy: -471.838
where: short stacking energy: -198.684
Base-Backbone interact. energy: -0.716
local terms energy: -231.743427
where:
bonds (distance) C4'-P energy: -49.408
bonds (distance) P-C4' energy: -54.366
flat angles C4'-P-C4' energy: -51.246
flat angles P-C4'-P energy: -27.943
tors. eta vs tors. theta energy: -48.781
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: 7
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -656.833785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.833785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.833785 (E_RNA)
where:
Base-Base interactions energy: -446.120
where: short stacking energy: -186.796
Base-Backbone interact. energy: 1.567
local terms energy: -212.280314
where:
bonds (distance) C4'-P energy: -42.208
bonds (distance) P-C4' energy: -44.311
flat angles C4'-P-C4' energy: -44.607
flat angles P-C4'-P energy: -35.841
tors. eta vs tors. theta energy: -45.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -619.593295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.593295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.593295 (E_RNA)
where:
Base-Base interactions energy: -408.638
where: short stacking energy: -185.545
Base-Backbone interact. energy: 0.363
local terms energy: -211.317840
where:
bonds (distance) C4'-P energy: -35.762
bonds (distance) P-C4' energy: -57.976
flat angles C4'-P-C4' energy: -48.947
flat angles P-C4'-P energy: -27.451
tors. eta vs tors. theta energy: -41.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -570.940664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.940664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.940664 (E_RNA)
where:
Base-Base interactions energy: -381.552
where: short stacking energy: -167.780
Base-Backbone interact. energy: -2.165
local terms energy: -187.224146
where:
bonds (distance) C4'-P energy: -47.669
bonds (distance) P-C4' energy: -34.059
flat angles C4'-P-C4' energy: -44.452
flat angles P-C4'-P energy: -23.733
tors. eta vs tors. theta energy: -37.311
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: 10
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -248.963245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.963245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.963245 (E_RNA)
where:
Base-Base interactions energy: -77.565
where: short stacking energy: -73.225
Base-Backbone interact. energy: -1.631
local terms energy: -169.766875
where:
bonds (distance) C4'-P energy: -46.485
bonds (distance) P-C4' energy: -52.270
flat angles C4'-P-C4' energy: -42.087
flat angles P-C4'-P energy: -21.794
tors. eta vs tors. theta energy: -7.130
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: 9
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -251.574100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.574100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.574100 (E_RNA)
where:
Base-Base interactions energy: -110.896
where: short stacking energy: -79.375
Base-Backbone interact. energy: -0.854
local terms energy: -139.823757
where:
bonds (distance) C4'-P energy: -45.812
bonds (distance) P-C4' energy: -41.172
flat angles C4'-P-C4' energy: -37.201
flat angles P-C4'-P energy: -14.762
tors. eta vs tors. theta energy: -0.876
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: 1
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -898.045175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.045175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.045175 (E_RNA)
where:
Base-Base interactions energy: -623.765
where: short stacking energy: -266.189
Base-Backbone interact. energy: 3.397
local terms energy: -277.677420
where:
bonds (distance) C4'-P energy: -42.253
bonds (distance) P-C4' energy: -52.257
flat angles C4'-P-C4' energy: -61.718
flat angles P-C4'-P energy: -49.518
tors. eta vs tors. theta energy: -71.931
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: 2, replica: 3
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -917.162958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.162958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.162958 (E_RNA)
where:
Base-Base interactions energy: -627.010
where: short stacking energy: -279.330
Base-Backbone interact. energy: -1.468
local terms energy: -288.684937
where:
bonds (distance) C4'-P energy: -50.575
bonds (distance) P-C4' energy: -51.990
flat angles C4'-P-C4' energy: -62.828
flat angles P-C4'-P energy: -47.281
tors. eta vs tors. theta energy: -76.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -862.828059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.828059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.828059 (E_RNA)
where:
Base-Base interactions energy: -592.724
where: short stacking energy: -240.058
Base-Backbone interact. energy: -0.406
local terms energy: -269.697880
where:
bonds (distance) C4'-P energy: -56.336
bonds (distance) P-C4' energy: -57.307
flat angles C4'-P-C4' energy: -51.023
flat angles P-C4'-P energy: -37.693
tors. eta vs tors. theta energy: -67.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -773.928308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.928308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.928308 (E_RNA)
where:
Base-Base interactions energy: -528.978
where: short stacking energy: -239.051
Base-Backbone interact. energy: 4.096
local terms energy: -249.045997
where:
bonds (distance) C4'-P energy: -50.079
bonds (distance) P-C4' energy: -49.950
flat angles C4'-P-C4' energy: -50.951
flat angles P-C4'-P energy: -39.307
tors. eta vs tors. theta energy: -58.759
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: 6
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -744.295479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.295479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.295479 (E_RNA)
where:
Base-Base interactions energy: -495.548
where: short stacking energy: -207.598
Base-Backbone interact. energy: -2.746
local terms energy: -246.001796
where:
bonds (distance) C4'-P energy: -47.108
bonds (distance) P-C4' energy: -58.125
flat angles C4'-P-C4' energy: -52.830
flat angles P-C4'-P energy: -36.009
tors. eta vs tors. theta energy: -51.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -639.411071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.411071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.411071 (E_RNA)
where:
Base-Base interactions energy: -424.282
where: short stacking energy: -180.746
Base-Backbone interact. energy: -0.990
local terms energy: -214.139148
where:
bonds (distance) C4'-P energy: -44.252
bonds (distance) P-C4' energy: -47.720
flat angles C4'-P-C4' energy: -49.144
flat angles P-C4'-P energy: -34.472
tors. eta vs tors. theta energy: -38.550
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: 2
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -597.427089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.427089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.427089 (E_RNA)
where:
Base-Base interactions energy: -376.284
where: short stacking energy: -178.320
Base-Backbone interact. energy: 1.674
local terms energy: -222.816786
where:
bonds (distance) C4'-P energy: -53.527
bonds (distance) P-C4' energy: -50.239
flat angles C4'-P-C4' energy: -45.305
flat angles P-C4'-P energy: -35.713
tors. eta vs tors. theta energy: -38.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -593.206619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.206619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.206619 (E_RNA)
where:
Base-Base interactions energy: -401.128
where: short stacking energy: -167.296
Base-Backbone interact. energy: -0.985
local terms energy: -191.093259
where:
bonds (distance) C4'-P energy: -44.544
bonds (distance) P-C4' energy: -43.730
flat angles C4'-P-C4' energy: -39.082
flat angles P-C4'-P energy: -31.576
tors. eta vs tors. theta energy: -32.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -294.510376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.510376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.510376 (E_RNA)
where:
Base-Base interactions energy: -137.823
where: short stacking energy: -78.661
Base-Backbone interact. energy: 0.867
local terms energy: -157.553860
where:
bonds (distance) C4'-P energy: -45.852
bonds (distance) P-C4' energy: -43.486
flat angles C4'-P-C4' energy: -45.359
flat angles P-C4'-P energy: -20.675
tors. eta vs tors. theta energy: -2.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -228.897007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.897007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.897007 (E_RNA)
where:
Base-Base interactions energy: -87.064
where: short stacking energy: -70.578
Base-Backbone interact. energy: 0.369
local terms energy: -142.202789
where:
bonds (distance) C4'-P energy: -44.753
bonds (distance) P-C4' energy: -39.809
flat angles C4'-P-C4' energy: -40.268
flat angles P-C4'-P energy: -14.392
tors. eta vs tors. theta energy: -2.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -905.028729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.028729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.028729 (E_RNA)
where:
Base-Base interactions energy: -616.866
where: short stacking energy: -270.910
Base-Backbone interact. energy: -1.334
local terms energy: -286.828219
where:
bonds (distance) C4'-P energy: -49.887
bonds (distance) P-C4' energy: -53.956
flat angles C4'-P-C4' energy: -66.306
flat angles P-C4'-P energy: -40.734
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: 2, replica: 3
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -883.841956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.841956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.841956 (E_RNA)
where:
Base-Base interactions energy: -614.351
where: short stacking energy: -263.586
Base-Backbone interact. energy: -4.477
local terms energy: -265.014502
where:
bonds (distance) C4'-P energy: -47.009
bonds (distance) P-C4' energy: -50.587
flat angles C4'-P-C4' energy: -59.030
flat angles P-C4'-P energy: -39.136
tors. eta vs tors. theta energy: -69.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -871.982318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.982318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.982318 (E_RNA)
where:
Base-Base interactions energy: -597.725
where: short stacking energy: -254.445
Base-Backbone interact. energy: -1.908
local terms energy: -272.349733
where:
bonds (distance) C4'-P energy: -51.724
bonds (distance) P-C4' energy: -56.897
flat angles C4'-P-C4' energy: -62.346
flat angles P-C4'-P energy: -33.119
tors. eta vs tors. theta energy: -68.263
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: 5
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -825.517098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.517098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.517098 (E_RNA)
where:
Base-Base interactions energy: -571.360
where: short stacking energy: -250.923
Base-Backbone interact. energy: 3.276
local terms energy: -257.433219
where:
bonds (distance) C4'-P energy: -46.893
bonds (distance) P-C4' energy: -48.497
flat angles C4'-P-C4' energy: -55.409
flat angles P-C4'-P energy: -37.663
tors. eta vs tors. theta energy: -68.972
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: 6
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -740.724547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.724547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.724547 (E_RNA)
where:
Base-Base interactions energy: -497.227
where: short stacking energy: -213.475
Base-Backbone interact. energy: -1.699
local terms energy: -241.797953
where:
bonds (distance) C4'-P energy: -38.487
bonds (distance) P-C4' energy: -49.949
flat angles C4'-P-C4' energy: -55.699
flat angles P-C4'-P energy: -39.077
tors. eta vs tors. theta energy: -58.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -665.717884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.717884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.717884 (E_RNA)
where:
Base-Base interactions energy: -433.073
where: short stacking energy: -197.694
Base-Backbone interact. energy: -1.490
local terms energy: -231.154870
where:
bonds (distance) C4'-P energy: -53.137
bonds (distance) P-C4' energy: -30.581
flat angles C4'-P-C4' energy: -57.432
flat angles P-C4'-P energy: -42.001
tors. eta vs tors. theta energy: -48.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -598.650859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.650859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.650859 (E_RNA)
where:
Base-Base interactions energy: -385.291
where: short stacking energy: -155.938
Base-Backbone interact. energy: -0.193
local terms energy: -213.166604
where:
bonds (distance) C4'-P energy: -44.599
bonds (distance) P-C4' energy: -47.842
flat angles C4'-P-C4' energy: -48.353
flat angles P-C4'-P energy: -33.919
tors. eta vs tors. theta energy: -38.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -555.715781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.715781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.715781 (E_RNA)
where:
Base-Base interactions energy: -353.776
where: short stacking energy: -161.664
Base-Backbone interact. energy: 1.689
local terms energy: -203.628806
where:
bonds (distance) C4'-P energy: -47.876
bonds (distance) P-C4' energy: -38.676
flat angles C4'-P-C4' energy: -45.976
flat angles P-C4'-P energy: -37.850
tors. eta vs tors. theta energy: -33.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -324.643302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.643302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.643302 (E_RNA)
where:
Base-Base interactions energy: -165.358
where: short stacking energy: -106.357
Base-Backbone interact. energy: 1.467
local terms energy: -160.752521
where:
bonds (distance) C4'-P energy: -32.698
bonds (distance) P-C4' energy: -49.327
flat angles C4'-P-C4' energy: -45.641
flat angles P-C4'-P energy: -22.871
tors. eta vs tors. theta energy: -10.216
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: 10
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -229.117539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.117539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.117539 (E_RNA)
where:
Base-Base interactions energy: -88.557
where: short stacking energy: -74.818
Base-Backbone interact. energy: 0.493
local terms energy: -141.053387
where:
bonds (distance) C4'-P energy: -40.251
bonds (distance) P-C4' energy: -50.142
flat angles C4'-P-C4' energy: -34.856
flat angles P-C4'-P energy: -17.066
tors. eta vs tors. theta energy: 1.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -895.889054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.889054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.889054 (E_RNA)
where:
Base-Base interactions energy: -627.730
where: short stacking energy: -273.531
Base-Backbone interact. energy: 0.493
local terms energy: -268.652325
where:
bonds (distance) C4'-P energy: -48.977
bonds (distance) P-C4' energy: -47.545
flat angles C4'-P-C4' energy: -59.258
flat angles P-C4'-P energy: -41.352
tors. eta vs tors. theta energy: -71.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -872.566530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.566530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.566530 (E_RNA)
where:
Base-Base interactions energy: -606.265
where: short stacking energy: -251.305
Base-Backbone interact. energy: 0.143
local terms energy: -266.444455
where:
bonds (distance) C4'-P energy: -53.638
bonds (distance) P-C4' energy: -56.406
flat angles C4'-P-C4' energy: -49.337
flat angles P-C4'-P energy: -38.093
tors. eta vs tors. theta energy: -68.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -870.523426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.523426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.523426 (E_RNA)
where:
Base-Base interactions energy: -607.306
where: short stacking energy: -282.126
Base-Backbone interact. energy: -0.240
local terms energy: -262.977480
where:
bonds (distance) C4'-P energy: -39.366
bonds (distance) P-C4' energy: -49.561
flat angles C4'-P-C4' energy: -60.086
flat angles P-C4'-P energy: -43.211
tors. eta vs tors. theta energy: -70.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -814.313337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.313337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.313337 (E_RNA)
where:
Base-Base interactions energy: -563.339
where: short stacking energy: -247.138
Base-Backbone interact. energy: -1.329
local terms energy: -249.645695
where:
bonds (distance) C4'-P energy: -51.814
bonds (distance) P-C4' energy: -45.072
flat angles C4'-P-C4' energy: -53.936
flat angles P-C4'-P energy: -30.398
tors. eta vs tors. theta energy: -68.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -746.078842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.078842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.078842 (E_RNA)
where:
Base-Base interactions energy: -524.913
where: short stacking energy: -228.985
Base-Backbone interact. energy: -0.803
local terms energy: -220.363527
where:
bonds (distance) C4'-P energy: -39.560
bonds (distance) P-C4' energy: -37.504
flat angles C4'-P-C4' energy: -53.961
flat angles P-C4'-P energy: -24.696
tors. eta vs tors. theta energy: -64.642
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: 7
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -672.804939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.804939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.804939 (E_RNA)
where:
Base-Base interactions energy: -467.916
where: short stacking energy: -193.296
Base-Backbone interact. energy: -1.106
local terms energy: -203.782861
where:
bonds (distance) C4'-P energy: -48.582
bonds (distance) P-C4' energy: -47.019
flat angles C4'-P-C4' energy: -44.827
flat angles P-C4'-P energy: -27.304
tors. eta vs tors. theta energy: -36.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -607.988773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.988773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.988773 (E_RNA)
where:
Base-Base interactions energy: -405.033
where: short stacking energy: -190.810
Base-Backbone interact. energy: 0.936
local terms energy: -203.891324
where:
bonds (distance) C4'-P energy: -46.271
bonds (distance) P-C4' energy: -42.641
flat angles C4'-P-C4' energy: -38.790
flat angles P-C4'-P energy: -33.018
tors. eta vs tors. theta energy: -43.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -565.926651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.926651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.926651 (E_RNA)
where:
Base-Base interactions energy: -365.694
where: short stacking energy: -159.057
Base-Backbone interact. energy: -0.339
local terms energy: -199.894309
where:
bonds (distance) C4'-P energy: -43.444
bonds (distance) P-C4' energy: -44.341
flat angles C4'-P-C4' energy: -50.734
flat angles P-C4'-P energy: -28.858
tors. eta vs tors. theta energy: -32.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -326.714118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.714118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.714118 (E_RNA)
where:
Base-Base interactions energy: -160.953
where: short stacking energy: -115.077
Base-Backbone interact. energy: -0.762
local terms energy: -164.998667
where:
bonds (distance) C4'-P energy: -35.038
bonds (distance) P-C4' energy: -36.726
flat angles C4'-P-C4' energy: -52.362
flat angles P-C4'-P energy: -28.609
tors. eta vs tors. theta energy: -12.264
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: 10
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -263.714464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.714464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.714464 (E_RNA)
where:
Base-Base interactions energy: -118.656
where: short stacking energy: -64.431
Base-Backbone interact. energy: -1.159
local terms energy: -143.899266
where:
bonds (distance) C4'-P energy: -48.776
bonds (distance) P-C4' energy: -36.643
flat angles C4'-P-C4' energy: -39.907
flat angles P-C4'-P energy: -19.856
tors. eta vs tors. theta energy: 1.282
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: 1
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -884.051871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.051871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.051871 (E_RNA)
where:
Base-Base interactions energy: -615.926
where: short stacking energy: -269.943
Base-Backbone interact. energy: 1.384
local terms energy: -269.510267
where:
bonds (distance) C4'-P energy: -54.936
bonds (distance) P-C4' energy: -56.060
flat angles C4'-P-C4' energy: -52.506
flat angles P-C4'-P energy: -33.649
tors. eta vs tors. theta energy: -72.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -887.212076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.212076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.212076 (E_RNA)
where:
Base-Base interactions energy: -602.122
where: short stacking energy: -259.726
Base-Backbone interact. energy: -1.774
local terms energy: -283.315554
where:
bonds (distance) C4'-P energy: -58.608
bonds (distance) P-C4' energy: -53.188
flat angles C4'-P-C4' energy: -60.268
flat angles P-C4'-P energy: -38.491
tors. eta vs tors. theta energy: -72.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -831.514387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.514387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.514387 (E_RNA)
where:
Base-Base interactions energy: -580.745
where: short stacking energy: -260.071
Base-Backbone interact. energy: -1.105
local terms energy: -249.664462
where:
bonds (distance) C4'-P energy: -56.407
bonds (distance) P-C4' energy: -51.372
flat angles C4'-P-C4' energy: -58.042
flat angles P-C4'-P energy: -25.915
tors. eta vs tors. theta energy: -57.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -781.118970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.118970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.118970 (E_RNA)
where:
Base-Base interactions energy: -558.269
where: short stacking energy: -219.451
Base-Backbone interact. energy: -1.896
local terms energy: -220.953605
where:
bonds (distance) C4'-P energy: -40.544
bonds (distance) P-C4' energy: -46.323
flat angles C4'-P-C4' energy: -51.397
flat angles P-C4'-P energy: -35.640
tors. eta vs tors. theta energy: -47.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -736.978492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.978492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.978492 (E_RNA)
where:
Base-Base interactions energy: -493.878
where: short stacking energy: -218.767
Base-Backbone interact. energy: -1.633
local terms energy: -241.467494
where:
bonds (distance) C4'-P energy: -43.133
bonds (distance) P-C4' energy: -50.981
flat angles C4'-P-C4' energy: -57.661
flat angles P-C4'-P energy: -31.967
tors. eta vs tors. theta energy: -57.726
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: 6, replica: 7
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -654.935696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.935696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.935696 (E_RNA)
where:
Base-Base interactions energy: -446.238
where: short stacking energy: -201.916
Base-Backbone interact. energy: 0.084
local terms energy: -208.782086
where:
bonds (distance) C4'-P energy: -46.911
bonds (distance) P-C4' energy: -46.243
flat angles C4'-P-C4' energy: -48.422
flat angles P-C4'-P energy: -19.679
tors. eta vs tors. theta energy: -47.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -588.130323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.130323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.130323 (E_RNA)
where:
Base-Base interactions energy: -380.316
where: short stacking energy: -176.969
Base-Backbone interact. energy: 3.417
local terms energy: -211.231262
where:
bonds (distance) C4'-P energy: -52.542
bonds (distance) P-C4' energy: -44.665
flat angles C4'-P-C4' energy: -50.308
flat angles P-C4'-P energy: -29.957
tors. eta vs tors. theta energy: -33.759
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: 8
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -573.008663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.008663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.008663 (E_RNA)
where:
Base-Base interactions energy: -392.162
where: short stacking energy: -167.852
Base-Backbone interact. energy: -1.535
local terms energy: -179.311985
where:
bonds (distance) C4'-P energy: -34.749
bonds (distance) P-C4' energy: -38.621
flat angles C4'-P-C4' energy: -41.692
flat angles P-C4'-P energy: -35.657
tors. eta vs tors. theta energy: -28.594
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: 9, replica: 9
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -337.514947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.514947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.514947 (E_RNA)
where:
Base-Base interactions energy: -173.876
where: short stacking energy: -96.902
Base-Backbone interact. energy: 5.284
local terms energy: -168.922825
where:
bonds (distance) C4'-P energy: -43.873
bonds (distance) P-C4' energy: -42.131
flat angles C4'-P-C4' energy: -44.579
flat angles P-C4'-P energy: -26.386
tors. eta vs tors. theta energy: -11.954
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: 10, replica: 10
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -304.483366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.483366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.483366 (E_RNA)
where:
Base-Base interactions energy: -153.371
where: short stacking energy: -85.786
Base-Backbone interact. energy: 3.251
local terms energy: -154.363365
where:
bonds (distance) C4'-P energy: -46.615
bonds (distance) P-C4' energy: -47.355
flat angles C4'-P-C4' energy: -37.915
flat angles P-C4'-P energy: -26.224
tors. eta vs tors. theta energy: 3.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -927.771395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.771395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.771395 (E_RNA)
where:
Base-Base interactions energy: -640.716
where: short stacking energy: -284.227
Base-Backbone interact. energy: -0.840
local terms energy: -286.215547
where:
bonds (distance) C4'-P energy: -56.769
bonds (distance) P-C4' energy: -52.121
flat angles C4'-P-C4' energy: -66.352
flat angles P-C4'-P energy: -31.627
tors. eta vs tors. theta energy: -79.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -883.706804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.706804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.706804 (E_RNA)
where:
Base-Base interactions energy: -623.143
where: short stacking energy: -263.603
Base-Backbone interact. energy: -0.687
local terms energy: -259.876300
where:
bonds (distance) C4'-P energy: -45.488
bonds (distance) P-C4' energy: -43.867
flat angles C4'-P-C4' energy: -58.158
flat angles P-C4'-P energy: -40.891
tors. eta vs tors. theta energy: -71.471
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: 3, replica: 5
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -806.237672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.237672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.237672 (E_RNA)
where:
Base-Base interactions energy: -548.209
where: short stacking energy: -233.898
Base-Backbone interact. energy: 0.161
local terms energy: -258.188914
where:
bonds (distance) C4'-P energy: -49.095
bonds (distance) P-C4' energy: -51.459
flat angles C4'-P-C4' energy: -54.140
flat angles P-C4'-P energy: -41.392
tors. eta vs tors. theta energy: -62.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -819.494388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.494388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.494388 (E_RNA)
where:
Base-Base interactions energy: -576.961
where: short stacking energy: -239.429
Base-Backbone interact. energy: 4.389
local terms energy: -246.922632
where:
bonds (distance) C4'-P energy: -41.081
bonds (distance) P-C4' energy: -51.317
flat angles C4'-P-C4' energy: -51.984
flat angles P-C4'-P energy: -38.757
tors. eta vs tors. theta energy: -63.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -753.081981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.081981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.081981 (E_RNA)
where:
Base-Base interactions energy: -510.560
where: short stacking energy: -222.489
Base-Backbone interact. energy: 1.488
local terms energy: -244.009438
where:
bonds (distance) C4'-P energy: -50.425
bonds (distance) P-C4' energy: -49.413
flat angles C4'-P-C4' energy: -52.272
flat angles P-C4'-P energy: -37.893
tors. eta vs tors. theta energy: -54.006
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: 7
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -686.589660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.589660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.589660 (E_RNA)
where:
Base-Base interactions energy: -459.860
where: short stacking energy: -203.819
Base-Backbone interact. energy: -2.911
local terms energy: -223.818709
where:
bonds (distance) C4'-P energy: -50.163
bonds (distance) P-C4' energy: -47.422
flat angles C4'-P-C4' energy: -49.563
flat angles P-C4'-P energy: -33.380
tors. eta vs tors. theta energy: -43.290
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: 7, replica: 8
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -624.628670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.628670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.628670 (E_RNA)
where:
Base-Base interactions energy: -412.506
where: short stacking energy: -162.815
Base-Backbone interact. energy: 0.360
local terms energy: -212.482677
where:
bonds (distance) C4'-P energy: -46.210
bonds (distance) P-C4' energy: -50.655
flat angles C4'-P-C4' energy: -46.960
flat angles P-C4'-P energy: -33.862
tors. eta vs tors. theta energy: -34.796
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: 2
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -623.805794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.805794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.805794 (E_RNA)
where:
Base-Base interactions energy: -409.686
where: short stacking energy: -188.502
Base-Backbone interact. energy: -1.031
local terms energy: -213.088931
where:
bonds (distance) C4'-P energy: -28.968
bonds (distance) P-C4' energy: -50.007
flat angles C4'-P-C4' energy: -55.188
flat angles P-C4'-P energy: -32.860
tors. eta vs tors. theta energy: -46.065
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: 10
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -337.359162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.359162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.359162 (E_RNA)
where:
Base-Base interactions energy: -170.031
where: short stacking energy: -101.002
Base-Backbone interact. energy: 4.176
local terms energy: -171.503837
where:
bonds (distance) C4'-P energy: -54.535
bonds (distance) P-C4' energy: -57.069
flat angles C4'-P-C4' energy: -32.913
flat angles P-C4'-P energy: -11.389
tors. eta vs tors. theta energy: -15.598
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: 10, replica: 9
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -294.873760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.873760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.873760 (E_RNA)
where:
Base-Base interactions energy: -132.808
where: short stacking energy: -76.782
Base-Backbone interact. energy: -1.432
local terms energy: -160.633385
where:
bonds (distance) C4'-P energy: -35.124
bonds (distance) P-C4' energy: -42.575
flat angles C4'-P-C4' energy: -46.850
flat angles P-C4'-P energy: -25.421
tors. eta vs tors. theta energy: -10.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -923.094260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.094260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.094260 (E_RNA)
where:
Base-Base interactions energy: -642.907
where: short stacking energy: -266.900
Base-Backbone interact. energy: -2.294
local terms energy: -277.893434
where:
bonds (distance) C4'-P energy: -42.929
bonds (distance) P-C4' energy: -59.550
flat angles C4'-P-C4' energy: -60.090
flat angles P-C4'-P energy: -37.376
tors. eta vs tors. theta energy: -77.949
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: 3
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -894.092979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.092979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.092979 (E_RNA)
where:
Base-Base interactions energy: -608.407
where: short stacking energy: -258.232
Base-Backbone interact. energy: 1.527
local terms energy: -287.212644
where:
bonds (distance) C4'-P energy: -45.978
bonds (distance) P-C4' energy: -59.007
flat angles C4'-P-C4' energy: -61.857
flat angles P-C4'-P energy: -47.743
tors. eta vs tors. theta energy: -72.628
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: 5
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -848.544025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.544025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.544025 (E_RNA)
where:
Base-Base interactions energy: -589.423
where: short stacking energy: -237.878
Base-Backbone interact. energy: 0.371
local terms energy: -259.491992
where:
bonds (distance) C4'-P energy: -48.958
bonds (distance) P-C4' energy: -48.230
flat angles C4'-P-C4' energy: -53.807
flat angles P-C4'-P energy: -44.510
tors. eta vs tors. theta energy: -63.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -844.413814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.413814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.413814 (E_RNA)
where:
Base-Base interactions energy: -576.395
where: short stacking energy: -243.555
Base-Backbone interact. energy: 0.549
local terms energy: -268.567253
where:
bonds (distance) C4'-P energy: -49.924
bonds (distance) P-C4' energy: -49.403
flat angles C4'-P-C4' energy: -55.313
flat angles P-C4'-P energy: -44.547
tors. eta vs tors. theta energy: -69.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -738.766236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.766236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.766236 (E_RNA)
where:
Base-Base interactions energy: -518.874
where: short stacking energy: -229.033
Base-Backbone interact. energy: -1.434
local terms energy: -218.457743
where:
bonds (distance) C4'-P energy: -41.976
bonds (distance) P-C4' energy: -34.558
flat angles C4'-P-C4' energy: -52.574
flat angles P-C4'-P energy: -28.944
tors. eta vs tors. theta energy: -60.405
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: 8
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -678.482016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.482016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.482016 (E_RNA)
where:
Base-Base interactions energy: -448.086
where: short stacking energy: -193.645
Base-Backbone interact. energy: -0.316
local terms energy: -230.079942
where:
bonds (distance) C4'-P energy: -47.778
bonds (distance) P-C4' energy: -43.322
flat angles C4'-P-C4' energy: -48.856
flat angles P-C4'-P energy: -32.340
tors. eta vs tors. theta energy: -57.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -631.605791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.605791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.605791 (E_RNA)
where:
Base-Base interactions energy: -412.983
where: short stacking energy: -183.847
Base-Backbone interact. energy: -0.890
local terms energy: -217.732443
where:
bonds (distance) C4'-P energy: -47.051
bonds (distance) P-C4' energy: -53.578
flat angles C4'-P-C4' energy: -44.657
flat angles P-C4'-P energy: -34.871
tors. eta vs tors. theta energy: -37.575
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: 8, replica: 2
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -564.773251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.773251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.773251 (E_RNA)
where:
Base-Base interactions energy: -363.733
where: short stacking energy: -162.465
Base-Backbone interact. energy: -0.731
local terms energy: -200.308643
where:
bonds (distance) C4'-P energy: -46.340
bonds (distance) P-C4' energy: -49.281
flat angles C4'-P-C4' energy: -49.075
flat angles P-C4'-P energy: -25.164
tors. eta vs tors. theta energy: -30.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -376.453077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.453077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.453077 (E_RNA)
where:
Base-Base interactions energy: -212.369
where: short stacking energy: -106.164
Base-Backbone interact. energy: -0.123
local terms energy: -163.961119
where:
bonds (distance) C4'-P energy: -35.330
bonds (distance) P-C4' energy: -46.418
flat angles C4'-P-C4' energy: -40.411
flat angles P-C4'-P energy: -34.325
tors. eta vs tors. theta energy: -7.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -224.750808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.750808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.750808 (E_RNA)
where:
Base-Base interactions energy: -70.805
where: short stacking energy: -54.021
Base-Backbone interact. energy: 0.411
local terms energy: -154.356792
where:
bonds (distance) C4'-P energy: -49.169
bonds (distance) P-C4' energy: -54.826
flat angles C4'-P-C4' energy: -15.280
flat angles P-C4'-P energy: -30.064
tors. eta vs tors. theta energy: -5.017
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: 1, replica: 3
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -913.380589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.380589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.380589 (E_RNA)
where:
Base-Base interactions energy: -628.548
where: short stacking energy: -289.337
Base-Backbone interact. energy: 0.365
local terms energy: -285.197695
where:
bonds (distance) C4'-P energy: -57.244
bonds (distance) P-C4' energy: -48.585
flat angles C4'-P-C4' energy: -59.869
flat angles P-C4'-P energy: -45.378
tors. eta vs tors. theta energy: -74.121
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: 2, replica: 1
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -886.679965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.679965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.679965 (E_RNA)
where:
Base-Base interactions energy: -594.813
where: short stacking energy: -262.929
Base-Backbone interact. energy: -2.428
local terms energy: -289.438510
where:
bonds (distance) C4'-P energy: -47.513
bonds (distance) P-C4' energy: -61.897
flat angles C4'-P-C4' energy: -61.413
flat angles P-C4'-P energy: -46.525
tors. eta vs tors. theta energy: -72.090
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: 4
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -860.621657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.621657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.621657 (E_RNA)
where:
Base-Base interactions energy: -588.112
where: short stacking energy: -262.009
Base-Backbone interact. energy: -0.143
local terms energy: -272.366767
where:
bonds (distance) C4'-P energy: -48.739
bonds (distance) P-C4' energy: -50.420
flat angles C4'-P-C4' energy: -59.249
flat angles P-C4'-P energy: -40.930
tors. eta vs tors. theta energy: -73.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -855.936278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.936278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.936278 (E_RNA)
where:
Base-Base interactions energy: -582.151
where: short stacking energy: -244.172
Base-Backbone interact. energy: 0.493
local terms energy: -274.278059
where:
bonds (distance) C4'-P energy: -52.486
bonds (distance) P-C4' energy: -48.844
flat angles C4'-P-C4' energy: -61.082
flat angles P-C4'-P energy: -38.294
tors. eta vs tors. theta energy: -73.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -758.403871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.403871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.403871 (E_RNA)
where:
Base-Base interactions energy: -526.254
where: short stacking energy: -230.108
Base-Backbone interact. energy: -0.376
local terms energy: -231.774016
where:
bonds (distance) C4'-P energy: -47.207
bonds (distance) P-C4' energy: -48.563
flat angles C4'-P-C4' energy: -44.678
flat angles P-C4'-P energy: -38.975
tors. eta vs tors. theta energy: -52.350
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: 6, replica: 8
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -679.263947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.263947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.263947 (E_RNA)
where:
Base-Base interactions energy: -439.910
where: short stacking energy: -199.693
Base-Backbone interact. energy: -0.627
local terms energy: -238.726216
where:
bonds (distance) C4'-P energy: -41.753
bonds (distance) P-C4' energy: -50.525
flat angles C4'-P-C4' energy: -54.504
flat angles P-C4'-P energy: -32.770
tors. eta vs tors. theta energy: -59.175
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: 7
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -632.127121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.127121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.127121 (E_RNA)
where:
Base-Base interactions energy: -428.305
where: short stacking energy: -185.776
Base-Backbone interact. energy: -2.007
local terms energy: -201.814896
where:
bonds (distance) C4'-P energy: -44.973
bonds (distance) P-C4' energy: -41.212
flat angles C4'-P-C4' energy: -52.782
flat angles P-C4'-P energy: -23.703
tors. eta vs tors. theta energy: -39.146
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: 2
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -474.134377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.134377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.134377 (E_RNA)
where:
Base-Base interactions energy: -272.950
where: short stacking energy: -135.078
Base-Backbone interact. energy: 1.323
local terms energy: -202.507402
where:
bonds (distance) C4'-P energy: -43.152
bonds (distance) P-C4' energy: -50.832
flat angles C4'-P-C4' energy: -41.149
flat angles P-C4'-P energy: -37.569
tors. eta vs tors. theta energy: -29.805
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: 10
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -321.102008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.102008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.102008 (E_RNA)
where:
Base-Base interactions energy: -157.555
where: short stacking energy: -102.321
Base-Backbone interact. energy: -0.023
local terms energy: -163.524855
where:
bonds (distance) C4'-P energy: -46.189
bonds (distance) P-C4' energy: -43.611
flat angles C4'-P-C4' energy: -47.094
flat angles P-C4'-P energy: -23.277
tors. eta vs tors. theta energy: -3.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -224.929229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.929229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.929229 (E_RNA)
where:
Base-Base interactions energy: -71.021
where: short stacking energy: -52.958
Base-Backbone interact. energy: -0.628
local terms energy: -153.279756
where:
bonds (distance) C4'-P energy: -36.767
bonds (distance) P-C4' energy: -46.483
flat angles C4'-P-C4' energy: -46.864
flat angles P-C4'-P energy: -31.770
tors. eta vs tors. theta energy: 8.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -915.557157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.557157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.557157 (E_RNA)
where:
Base-Base interactions energy: -622.589
where: short stacking energy: -275.196
Base-Backbone interact. energy: -0.404
local terms energy: -292.563318
where:
bonds (distance) C4'-P energy: -52.997
bonds (distance) P-C4' energy: -48.101
flat angles C4'-P-C4' energy: -64.027
flat angles P-C4'-P energy: -47.359
tors. eta vs tors. theta energy: -80.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -891.136529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.136529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.136529 (E_RNA)
where:
Base-Base interactions energy: -613.603
where: short stacking energy: -249.243
Base-Backbone interact. energy: -1.464
local terms energy: -276.069947
where:
bonds (distance) C4'-P energy: -48.287
bonds (distance) P-C4' energy: -54.065
flat angles C4'-P-C4' energy: -62.873
flat angles P-C4'-P energy: -35.517
tors. eta vs tors. theta energy: -75.328
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: 4
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -858.408660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.408660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.408660 (E_RNA)
where:
Base-Base interactions energy: -588.404
where: short stacking energy: -259.371
Base-Backbone interact. energy: 0.089
local terms energy: -270.093304
where:
bonds (distance) C4'-P energy: -48.540
bonds (distance) P-C4' energy: -53.539
flat angles C4'-P-C4' energy: -57.508
flat angles P-C4'-P energy: -35.524
tors. eta vs tors. theta energy: -74.982
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: 4, replica: 5
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -840.126674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.126674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.126674 (E_RNA)
where:
Base-Base interactions energy: -571.808
where: short stacking energy: -253.188
Base-Backbone interact. energy: -2.485
local terms energy: -265.833935
where:
bonds (distance) C4'-P energy: -51.677
bonds (distance) P-C4' energy: -50.173
flat angles C4'-P-C4' energy: -54.957
flat angles P-C4'-P energy: -39.659
tors. eta vs tors. theta energy: -69.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -748.646234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.646234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.646234 (E_RNA)
where:
Base-Base interactions energy: -516.471
where: short stacking energy: -215.427
Base-Backbone interact. energy: -2.380
local terms energy: -229.795508
where:
bonds (distance) C4'-P energy: -42.150
bonds (distance) P-C4' energy: -44.948
flat angles C4'-P-C4' energy: -53.911
flat angles P-C4'-P energy: -32.334
tors. eta vs tors. theta energy: -56.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -682.362814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.362814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.362814 (E_RNA)
where:
Base-Base interactions energy: -454.390
where: short stacking energy: -198.211
Base-Backbone interact. energy: -1.331
local terms energy: -226.642012
where:
bonds (distance) C4'-P energy: -42.845
bonds (distance) P-C4' energy: -51.075
flat angles C4'-P-C4' energy: -46.115
flat angles P-C4'-P energy: -37.141
tors. eta vs tors. theta energy: -49.466
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: 7
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -617.584019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.584019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.584019 (E_RNA)
where:
Base-Base interactions energy: -416.752
where: short stacking energy: -181.749
Base-Backbone interact. energy: -1.158
local terms energy: -199.673750
where:
bonds (distance) C4'-P energy: -40.155
bonds (distance) P-C4' energy: -34.428
flat angles C4'-P-C4' energy: -45.567
flat angles P-C4'-P energy: -32.294
tors. eta vs tors. theta energy: -47.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -353.533914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.533914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.533914 (E_RNA)
where:
Base-Base interactions energy: -177.896
where: short stacking energy: -101.592
Base-Backbone interact. energy: -0.653
local terms energy: -174.985312
where:
bonds (distance) C4'-P energy: -48.456
bonds (distance) P-C4' energy: -52.395
flat angles C4'-P-C4' energy: -39.729
flat angles P-C4'-P energy: -35.458
tors. eta vs tors. theta energy: 1.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -458.485872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.485872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.485872 (E_RNA)
where:
Base-Base interactions energy: -267.918
where: short stacking energy: -121.830
Base-Backbone interact. energy: -1.438
local terms energy: -189.130496
where:
bonds (distance) C4'-P energy: -49.979
bonds (distance) P-C4' energy: -54.840
flat angles C4'-P-C4' energy: -49.082
flat angles P-C4'-P energy: -21.108
tors. eta vs tors. theta energy: -14.121
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: 9
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -241.989335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.989335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.989335 (E_RNA)
where:
Base-Base interactions energy: -85.280
where: short stacking energy: -65.407
Base-Backbone interact. energy: -1.869
local terms energy: -154.840830
where:
bonds (distance) C4'-P energy: -39.626
bonds (distance) P-C4' energy: -51.937
flat angles C4'-P-C4' energy: -34.305
flat angles P-C4'-P energy: -17.407
tors. eta vs tors. theta energy: -11.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -924.853065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.853065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.853065 (E_RNA)
where:
Base-Base interactions energy: -628.789
where: short stacking energy: -274.084
Base-Backbone interact. energy: -1.927
local terms energy: -294.137135
where:
bonds (distance) C4'-P energy: -53.805
bonds (distance) P-C4' energy: -60.990
flat angles C4'-P-C4' energy: -63.727
flat angles P-C4'-P energy: -39.221
tors. eta vs tors. theta energy: -76.394
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: 274
Temperature: 0.950000
Total energy: -894.842208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.842208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.842208 (E_RNA)
where:
Base-Base interactions energy: -621.026
where: short stacking energy: -276.213
Base-Backbone interact. energy: -1.764
local terms energy: -272.052408
where:
bonds (distance) C4'-P energy: -51.439
bonds (distance) P-C4' energy: -58.304
flat angles C4'-P-C4' energy: -56.107
flat angles P-C4'-P energy: -33.554
tors. eta vs tors. theta energy: -72.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -861.182952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.182952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.182952 (E_RNA)
where:
Base-Base interactions energy: -591.472
where: short stacking energy: -258.228
Base-Backbone interact. energy: -1.321
local terms energy: -268.389549
where:
bonds (distance) C4'-P energy: -53.593
bonds (distance) P-C4' energy: -44.329
flat angles C4'-P-C4' energy: -56.889
flat angles P-C4'-P energy: -40.479
tors. eta vs tors. theta energy: -73.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -826.751712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.751712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.751712 (E_RNA)
where:
Base-Base interactions energy: -565.109
where: short stacking energy: -244.682
Base-Backbone interact. energy: -0.616
local terms energy: -261.026435
where:
bonds (distance) C4'-P energy: -49.953
bonds (distance) P-C4' energy: -49.194
flat angles C4'-P-C4' energy: -57.829
flat angles P-C4'-P energy: -33.986
tors. eta vs tors. theta energy: -70.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -758.464722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.464722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.464722 (E_RNA)
where:
Base-Base interactions energy: -519.211
where: short stacking energy: -224.980
Base-Backbone interact. energy: 2.702
local terms energy: -241.955378
where:
bonds (distance) C4'-P energy: -45.513
bonds (distance) P-C4' energy: -47.665
flat angles C4'-P-C4' energy: -56.409
flat angles P-C4'-P energy: -37.682
tors. eta vs tors. theta energy: -54.686
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: 8
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -685.922523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.922523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.922523 (E_RNA)
where:
Base-Base interactions energy: -481.857
where: short stacking energy: -213.264
Base-Backbone interact. energy: -0.969
local terms energy: -203.096799
where:
bonds (distance) C4'-P energy: -47.903
bonds (distance) P-C4' energy: -34.830
flat angles C4'-P-C4' energy: -52.250
flat angles P-C4'-P energy: -24.682
tors. eta vs tors. theta energy: -43.432
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: 7
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -609.906765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.906765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.906765 (E_RNA)
where:
Base-Base interactions energy: -412.790
where: short stacking energy: -175.969
Base-Backbone interact. energy: -1.051
local terms energy: -196.066157
where:
bonds (distance) C4'-P energy: -40.930
bonds (distance) P-C4' energy: -44.058
flat angles C4'-P-C4' energy: -45.518
flat angles P-C4'-P energy: -29.731
tors. eta vs tors. theta energy: -35.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -332.460674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.460674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.460674 (E_RNA)
where:
Base-Base interactions energy: -178.899
where: short stacking energy: -101.034
Base-Backbone interact. energy: -0.100
local terms energy: -153.461922
where:
bonds (distance) C4'-P energy: -39.366
bonds (distance) P-C4' energy: -39.380
flat angles C4'-P-C4' energy: -44.832
flat angles P-C4'-P energy: -24.804
tors. eta vs tors. theta energy: -5.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -470.635403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.635403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.635403 (E_RNA)
where:
Base-Base interactions energy: -278.463
where: short stacking energy: -142.416
Base-Backbone interact. energy: -0.642
local terms energy: -191.530296
where:
bonds (distance) C4'-P energy: -45.863
bonds (distance) P-C4' energy: -39.497
flat angles C4'-P-C4' energy: -47.465
flat angles P-C4'-P energy: -24.545
tors. eta vs tors. theta energy: -34.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -229.450188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.450188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.450188 (E_RNA)
where:
Base-Base interactions energy: -74.611
where: short stacking energy: -63.390
Base-Backbone interact. energy: 4.926
local terms energy: -159.766069
where:
bonds (distance) C4'-P energy: -33.102
bonds (distance) P-C4' energy: -53.357
flat angles C4'-P-C4' energy: -47.420
flat angles P-C4'-P energy: -26.938
tors. eta vs tors. theta energy: 1.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -936.059092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.059092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.059092 (E_RNA)
where:
Base-Base interactions energy: -638.078
where: short stacking energy: -288.390
Base-Backbone interact. energy: -0.021
local terms energy: -297.960136
where:
bonds (distance) C4'-P energy: -49.615
bonds (distance) P-C4' energy: -61.728
flat angles C4'-P-C4' energy: -67.826
flat angles P-C4'-P energy: -40.951
tors. eta vs tors. theta energy: -77.840
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: 1
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -876.573334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.573334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.573334 (E_RNA)
where:
Base-Base interactions energy: -623.419
where: short stacking energy: -258.170
Base-Backbone interact. energy: -0.295
local terms energy: -252.859755
where:
bonds (distance) C4'-P energy: -54.137
bonds (distance) P-C4' energy: -49.405
flat angles C4'-P-C4' energy: -49.670
flat angles P-C4'-P energy: -30.489
tors. eta vs tors. theta energy: -69.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -857.597688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.597688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.597688 (E_RNA)
where:
Base-Base interactions energy: -588.032
where: short stacking energy: -251.039
Base-Backbone interact. energy: -1.452
local terms energy: -268.113752
where:
bonds (distance) C4'-P energy: -44.973
bonds (distance) P-C4' energy: -44.588
flat angles C4'-P-C4' energy: -63.156
flat angles P-C4'-P energy: -46.330
tors. eta vs tors. theta energy: -69.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -811.242608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.242608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.242608 (E_RNA)
where:
Base-Base interactions energy: -552.322
where: short stacking energy: -248.683
Base-Backbone interact. energy: -0.400
local terms energy: -258.521059
where:
bonds (distance) C4'-P energy: -45.591
bonds (distance) P-C4' energy: -44.112
flat angles C4'-P-C4' energy: -48.635
flat angles P-C4'-P energy: -42.345
tors. eta vs tors. theta energy: -77.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -741.306963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.306963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.306963 (E_RNA)
where:
Base-Base interactions energy: -490.637
where: short stacking energy: -221.590
Base-Backbone interact. energy: -2.316
local terms energy: -248.354007
where:
bonds (distance) C4'-P energy: -54.021
bonds (distance) P-C4' energy: -49.815
flat angles C4'-P-C4' energy: -58.384
flat angles P-C4'-P energy: -29.703
tors. eta vs tors. theta energy: -56.430
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: 8
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -673.963661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.963661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.963661 (E_RNA)
where:
Base-Base interactions energy: -438.410
where: short stacking energy: -191.790
Base-Backbone interact. energy: 1.387
local terms energy: -236.940322
where:
bonds (distance) C4'-P energy: -57.625
bonds (distance) P-C4' energy: -48.822
flat angles C4'-P-C4' energy: -49.807
flat angles P-C4'-P energy: -38.828
tors. eta vs tors. theta energy: -41.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -604.623848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.623848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.623848 (E_RNA)
where:
Base-Base interactions energy: -395.761
where: short stacking energy: -176.970
Base-Backbone interact. energy: -2.464
local terms energy: -206.398896
where:
bonds (distance) C4'-P energy: -48.312
bonds (distance) P-C4' energy: -47.872
flat angles C4'-P-C4' energy: -49.722
flat angles P-C4'-P energy: -18.047
tors. eta vs tors. theta energy: -42.446
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: 2
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -490.128986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.128986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.128986 (E_RNA)
where:
Base-Base interactions energy: -287.748
where: short stacking energy: -131.138
Base-Backbone interact. energy: -0.709
local terms energy: -201.671787
where:
bonds (distance) C4'-P energy: -46.237
bonds (distance) P-C4' energy: -46.142
flat angles C4'-P-C4' energy: -41.200
flat angles P-C4'-P energy: -33.007
tors. eta vs tors. theta energy: -35.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -317.487522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.487522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.487522 (E_RNA)
where:
Base-Base interactions energy: -154.812
where: short stacking energy: -77.983
Base-Backbone interact. energy: 1.010
local terms energy: -163.685191
where:
bonds (distance) C4'-P energy: -41.959
bonds (distance) P-C4' energy: -48.560
flat angles C4'-P-C4' energy: -40.317
flat angles P-C4'-P energy: -30.903
tors. eta vs tors. theta energy: -1.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -225.779484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.779484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.779484 (E_RNA)
where:
Base-Base interactions energy: -65.317
where: short stacking energy: -52.250
Base-Backbone interact. energy: -0.220
local terms energy: -160.242115
where:
bonds (distance) C4'-P energy: -53.398
bonds (distance) P-C4' energy: -53.425
flat angles C4'-P-C4' energy: -45.026
flat angles P-C4'-P energy: -19.696
tors. eta vs tors. theta energy: 11.302
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: 1
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -921.783330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.783330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.783330 (E_RNA)
where:
Base-Base interactions energy: -636.454
where: short stacking energy: -277.034
Base-Backbone interact. energy: -0.698
local terms energy: -284.631561
where:
bonds (distance) C4'-P energy: -48.665
bonds (distance) P-C4' energy: -57.078
flat angles C4'-P-C4' energy: -61.756
flat angles P-C4'-P energy: -46.274
tors. eta vs tors. theta energy: -70.859
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: 3
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -929.486628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.486628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.486628 (E_RNA)
where:
Base-Base interactions energy: -640.923
where: short stacking energy: -284.136
Base-Backbone interact. energy: 1.057
local terms energy: -289.621166
where:
bonds (distance) C4'-P energy: -52.067
bonds (distance) P-C4' energy: -52.350
flat angles C4'-P-C4' energy: -60.649
flat angles P-C4'-P energy: -46.111
tors. eta vs tors. theta energy: -78.444
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: 4
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -843.586395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.586395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.586395 (E_RNA)
where:
Base-Base interactions energy: -574.688
where: short stacking energy: -243.996
Base-Backbone interact. energy: -1.087
local terms energy: -267.810587
where:
bonds (distance) C4'-P energy: -51.733
bonds (distance) P-C4' energy: -52.156
flat angles C4'-P-C4' energy: -54.303
flat angles P-C4'-P energy: -37.620
tors. eta vs tors. theta energy: -72.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -809.853123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.853123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.853123 (E_RNA)
where:
Base-Base interactions energy: -556.917
where: short stacking energy: -251.759
Base-Backbone interact. energy: -0.723
local terms energy: -252.213702
where:
bonds (distance) C4'-P energy: -49.695
bonds (distance) P-C4' energy: -49.890
flat angles C4'-P-C4' energy: -54.980
flat angles P-C4'-P energy: -30.943
tors. eta vs tors. theta energy: -66.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -743.954497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.954497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.954497 (E_RNA)
where:
Base-Base interactions energy: -509.810
where: short stacking energy: -225.439
Base-Backbone interact. energy: -0.909
local terms energy: -233.234908
where:
bonds (distance) C4'-P energy: -42.630
bonds (distance) P-C4' energy: -54.073
flat angles C4'-P-C4' energy: -49.340
flat angles P-C4'-P energy: -35.920
tors. eta vs tors. theta energy: -51.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -670.880206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.880206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.880206 (E_RNA)
where:
Base-Base interactions energy: -456.166
where: short stacking energy: -192.802
Base-Backbone interact. energy: -0.633
local terms energy: -214.081510
where:
bonds (distance) C4'-P energy: -40.507
bonds (distance) P-C4' energy: -47.141
flat angles C4'-P-C4' energy: -53.951
flat angles P-C4'-P energy: -25.759
tors. eta vs tors. theta energy: -46.724
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: 7
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -577.919861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.919861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.919861 (E_RNA)
where:
Base-Base interactions energy: -374.464
where: short stacking energy: -157.930
Base-Backbone interact. energy: 0.135
local terms energy: -203.590657
where:
bonds (distance) C4'-P energy: -50.024
bonds (distance) P-C4' energy: -42.512
flat angles C4'-P-C4' energy: -53.292
flat angles P-C4'-P energy: -26.929
tors. eta vs tors. theta energy: -30.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -484.352326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.352326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.352326 (E_RNA)
where:
Base-Base interactions energy: -300.227
where: short stacking energy: -148.541
Base-Backbone interact. energy: -1.644
local terms energy: -182.481189
where:
bonds (distance) C4'-P energy: -35.165
bonds (distance) P-C4' energy: -36.250
flat angles C4'-P-C4' energy: -51.944
flat angles P-C4'-P energy: -26.378
tors. eta vs tors. theta energy: -32.743
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: 10
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -323.328116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.328116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.328116 (E_RNA)
where:
Base-Base interactions energy: -148.170
where: short stacking energy: -93.599
Base-Backbone interact. energy: -0.378
local terms energy: -174.780333
where:
bonds (distance) C4'-P energy: -48.844
bonds (distance) P-C4' energy: -42.065
flat angles C4'-P-C4' energy: -41.630
flat angles P-C4'-P energy: -28.535
tors. eta vs tors. theta energy: -13.706
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: 10, replica: 9
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -247.864518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.864518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.864518 (E_RNA)
where:
Base-Base interactions energy: -79.088
where: short stacking energy: -63.715
Base-Backbone interact. energy: 3.541
local terms energy: -172.317548
where:
bonds (distance) C4'-P energy: -52.042
bonds (distance) P-C4' energy: -45.287
flat angles C4'-P-C4' energy: -43.373
flat angles P-C4'-P energy: -34.714
tors. eta vs tors. theta energy: 3.097
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: 1, replica: 1
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -888.873489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.873489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.873489 (E_RNA)
where:
Base-Base interactions energy: -619.244
where: short stacking energy: -272.241
Base-Backbone interact. energy: 2.507
local terms energy: -272.136216
where:
bonds (distance) C4'-P energy: -46.112
bonds (distance) P-C4' energy: -50.102
flat angles C4'-P-C4' energy: -59.410
flat angles P-C4'-P energy: -46.843
tors. eta vs tors. theta energy: -69.669
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: 3
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -907.195134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.195134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.195134 (E_RNA)
where:
Base-Base interactions energy: -629.405
where: short stacking energy: -267.606
Base-Backbone interact. energy: 1.820
local terms energy: -279.610847
where:
bonds (distance) C4'-P energy: -52.233
bonds (distance) P-C4' energy: -51.826
flat angles C4'-P-C4' energy: -57.914
flat angles P-C4'-P energy: -41.408
tors. eta vs tors. theta energy: -76.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -840.749770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.749770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.749770 (E_RNA)
where:
Base-Base interactions energy: -580.412
where: short stacking energy: -248.732
Base-Backbone interact. energy: -1.631
local terms energy: -258.706365
where:
bonds (distance) C4'-P energy: -51.912
bonds (distance) P-C4' energy: -51.868
flat angles C4'-P-C4' energy: -52.195
flat angles P-C4'-P energy: -37.479
tors. eta vs tors. theta energy: -65.253
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: 5
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -824.536409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.536409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.536409 (E_RNA)
where:
Base-Base interactions energy: -569.325
where: short stacking energy: -250.148
Base-Backbone interact. energy: -0.532
local terms energy: -254.678620
where:
bonds (distance) C4'-P energy: -47.582
bonds (distance) P-C4' energy: -52.309
flat angles C4'-P-C4' energy: -53.696
flat angles P-C4'-P energy: -33.019
tors. eta vs tors. theta energy: -68.072
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: 6
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -733.132102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.132102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.132102 (E_RNA)
where:
Base-Base interactions energy: -501.765
where: short stacking energy: -218.848
Base-Backbone interact. energy: -1.365
local terms energy: -230.002646
where:
bonds (distance) C4'-P energy: -46.867
bonds (distance) P-C4' energy: -49.457
flat angles C4'-P-C4' energy: -47.395
flat angles P-C4'-P energy: -27.703
tors. eta vs tors. theta energy: -58.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -677.532105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.532105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.532105 (E_RNA)
where:
Base-Base interactions energy: -463.323
where: short stacking energy: -213.835
Base-Backbone interact. energy: -0.875
local terms energy: -213.333243
where:
bonds (distance) C4'-P energy: -37.060
bonds (distance) P-C4' energy: -43.607
flat angles C4'-P-C4' energy: -54.047
flat angles P-C4'-P energy: -27.045
tors. eta vs tors. theta energy: -51.573
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: 7, replica: 7
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -546.361322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.361322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.361322 (E_RNA)
where:
Base-Base interactions energy: -340.384
where: short stacking energy: -146.433
Base-Backbone interact. energy: -0.324
local terms energy: -205.654223
where:
bonds (distance) C4'-P energy: -48.381
bonds (distance) P-C4' energy: -46.996
flat angles C4'-P-C4' energy: -41.120
flat angles P-C4'-P energy: -36.321
tors. eta vs tors. theta energy: -32.837
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: 8, replica: 2
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -478.543870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.543870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.543870 (E_RNA)
where:
Base-Base interactions energy: -287.285
where: short stacking energy: -149.485
Base-Backbone interact. energy: 1.422
local terms energy: -192.680889
where:
bonds (distance) C4'-P energy: -41.746
bonds (distance) P-C4' energy: -44.921
flat angles C4'-P-C4' energy: -46.186
flat angles P-C4'-P energy: -31.578
tors. eta vs tors. theta energy: -28.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -331.148922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.148922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.148922 (E_RNA)
where:
Base-Base interactions energy: -154.659
where: short stacking energy: -100.641
Base-Backbone interact. energy: -0.993
local terms energy: -175.497254
where:
bonds (distance) C4'-P energy: -40.394
bonds (distance) P-C4' energy: -54.395
flat angles C4'-P-C4' energy: -46.355
flat angles P-C4'-P energy: -17.675
tors. eta vs tors. theta energy: -16.678
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: 9
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -226.608432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.608432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.608432 (E_RNA)
where:
Base-Base interactions energy: -76.914
where: short stacking energy: -66.060
Base-Backbone interact. energy: 0.362
local terms energy: -150.055834
where:
bonds (distance) C4'-P energy: -37.576
bonds (distance) P-C4' energy: -46.428
flat angles C4'-P-C4' energy: -33.121
flat angles P-C4'-P energy: -24.801
tors. eta vs tors. theta energy: -8.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -927.970620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.970620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.970620 (E_RNA)
where:
Base-Base interactions energy: -642.068
where: short stacking energy: -272.164
Base-Backbone interact. energy: 0.223
local terms energy: -286.125752
where:
bonds (distance) C4'-P energy: -57.120
bonds (distance) P-C4' energy: -53.824
flat angles C4'-P-C4' energy: -53.538
flat angles P-C4'-P energy: -45.181
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: 2, replica: 1
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -889.503833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.503833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.503833 (E_RNA)
where:
Base-Base interactions energy: -612.252
where: short stacking energy: -260.878
Base-Backbone interact. energy: -0.707
local terms energy: -276.545451
where:
bonds (distance) C4'-P energy: -52.815
bonds (distance) P-C4' energy: -55.918
flat angles C4'-P-C4' energy: -59.819
flat angles P-C4'-P energy: -35.278
tors. eta vs tors. theta energy: -72.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -853.593097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.593097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.593097 (E_RNA)
where:
Base-Base interactions energy: -592.397
where: short stacking energy: -253.179
Base-Backbone interact. energy: -1.418
local terms energy: -259.778364
where:
bonds (distance) C4'-P energy: -48.637
bonds (distance) P-C4' energy: -48.985
flat angles C4'-P-C4' energy: -56.463
flat angles P-C4'-P energy: -33.159
tors. eta vs tors. theta energy: -72.534
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: 5
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -819.247266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.247266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.247266 (E_RNA)
where:
Base-Base interactions energy: -570.778
where: short stacking energy: -237.825
Base-Backbone interact. energy: -1.778
local terms energy: -246.690969
where:
bonds (distance) C4'-P energy: -45.258
bonds (distance) P-C4' energy: -48.492
flat angles C4'-P-C4' energy: -57.074
flat angles P-C4'-P energy: -37.338
tors. eta vs tors. theta energy: -58.529
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: 6
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -722.488911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.488911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.488911 (E_RNA)
where:
Base-Base interactions energy: -486.924
where: short stacking energy: -216.709
Base-Backbone interact. energy: -1.656
local terms energy: -233.908818
where:
bonds (distance) C4'-P energy: -41.888
bonds (distance) P-C4' energy: -48.858
flat angles C4'-P-C4' energy: -52.509
flat angles P-C4'-P energy: -40.851
tors. eta vs tors. theta energy: -49.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -640.464478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.464478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.464478 (E_RNA)
where:
Base-Base interactions energy: -410.680
where: short stacking energy: -171.094
Base-Backbone interact. energy: -0.370
local terms energy: -229.415006
where:
bonds (distance) C4'-P energy: -57.521
bonds (distance) P-C4' energy: -47.499
flat angles C4'-P-C4' energy: -49.050
flat angles P-C4'-P energy: -28.820
tors. eta vs tors. theta energy: -46.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -556.091147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.091147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.091147 (E_RNA)
where:
Base-Base interactions energy: -357.669
where: short stacking energy: -150.679
Base-Backbone interact. energy: 2.288
local terms energy: -200.710586
where:
bonds (distance) C4'-P energy: -53.314
bonds (distance) P-C4' energy: -43.106
flat angles C4'-P-C4' energy: -43.802
flat angles P-C4'-P energy: -32.125
tors. eta vs tors. theta energy: -28.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -485.396833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.396833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.396833 (E_RNA)
where:
Base-Base interactions energy: -302.205
where: short stacking energy: -143.283
Base-Backbone interact. energy: -0.816
local terms energy: -182.376016
where:
bonds (distance) C4'-P energy: -38.977
bonds (distance) P-C4' energy: -40.385
flat angles C4'-P-C4' energy: -44.736
flat angles P-C4'-P energy: -29.151
tors. eta vs tors. theta energy: -29.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -317.921910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.921910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.921910 (E_RNA)
where:
Base-Base interactions energy: -164.036
where: short stacking energy: -95.326
Base-Backbone interact. energy: -0.875
local terms energy: -153.010514
where:
bonds (distance) C4'-P energy: -46.563
bonds (distance) P-C4' energy: -48.855
flat angles C4'-P-C4' energy: -33.502
flat angles P-C4'-P energy: -11.883
tors. eta vs tors. theta energy: -12.207
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: 9
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -278.952068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.952068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.952068 (E_RNA)
where:
Base-Base interactions energy: -123.096
where: short stacking energy: -88.441
Base-Backbone interact. energy: -0.662
local terms energy: -155.193319
where:
bonds (distance) C4'-P energy: -37.843
bonds (distance) P-C4' energy: -49.538
flat angles C4'-P-C4' energy: -38.150
flat angles P-C4'-P energy: -24.273
tors. eta vs tors. theta energy: -5.390
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: 3
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -949.409023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.409023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.409023 (E_RNA)
where:
Base-Base interactions energy: -665.322
where: short stacking energy: -267.583
Base-Backbone interact. energy: -2.233
local terms energy: -281.854280
where:
bonds (distance) C4'-P energy: -47.961
bonds (distance) P-C4' energy: -56.719
flat angles C4'-P-C4' energy: -63.216
flat angles P-C4'-P energy: -42.720
tors. eta vs tors. theta energy: -71.238
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: 1
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -886.820366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.820366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.820366 (E_RNA)
where:
Base-Base interactions energy: -613.951
where: short stacking energy: -251.680
Base-Backbone interact. energy: -0.948
local terms energy: -271.921023
where:
bonds (distance) C4'-P energy: -55.059
bonds (distance) P-C4' energy: -50.010
flat angles C4'-P-C4' energy: -58.492
flat angles P-C4'-P energy: -39.764
tors. eta vs tors. theta energy: -68.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -855.623976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.623976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.623976 (E_RNA)
where:
Base-Base interactions energy: -579.597
where: short stacking energy: -240.982
Base-Backbone interact. energy: 0.733
local terms energy: -276.760496
where:
bonds (distance) C4'-P energy: -47.835
bonds (distance) P-C4' energy: -55.641
flat angles C4'-P-C4' energy: -59.667
flat angles P-C4'-P energy: -44.479
tors. eta vs tors. theta energy: -69.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -853.942329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.942329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.942329 (E_RNA)
where:
Base-Base interactions energy: -591.221
where: short stacking energy: -259.324
Base-Backbone interact. energy: -0.470
local terms energy: -262.251715
where:
bonds (distance) C4'-P energy: -42.242
bonds (distance) P-C4' energy: -55.083
flat angles C4'-P-C4' energy: -60.454
flat angles P-C4'-P energy: -33.455
tors. eta vs tors. theta energy: -71.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -719.512072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.512072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.512072 (E_RNA)
where:
Base-Base interactions energy: -499.114
where: short stacking energy: -208.512
Base-Backbone interact. energy: -1.761
local terms energy: -218.636585
where:
bonds (distance) C4'-P energy: -38.867
bonds (distance) P-C4' energy: -36.267
flat angles C4'-P-C4' energy: -54.434
flat angles P-C4'-P energy: -36.374
tors. eta vs tors. theta energy: -52.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -667.979633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.979633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.979633 (E_RNA)
where:
Base-Base interactions energy: -444.879
where: short stacking energy: -202.052
Base-Backbone interact. energy: 1.394
local terms energy: -224.494552
where:
bonds (distance) C4'-P energy: -42.200
bonds (distance) P-C4' energy: -51.441
flat angles C4'-P-C4' energy: -54.256
flat angles P-C4'-P energy: -32.905
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: 7, replica: 7
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -583.171602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.171602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.171602 (E_RNA)
where:
Base-Base interactions energy: -376.625
where: short stacking energy: -158.323
Base-Backbone interact. energy: -1.786
local terms energy: -204.761145
where:
bonds (distance) C4'-P energy: -46.296
bonds (distance) P-C4' energy: -44.630
flat angles C4'-P-C4' energy: -45.716
flat angles P-C4'-P energy: -33.066
tors. eta vs tors. theta energy: -35.053
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: 8, replica: 2
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -462.323405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.323405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.323405 (E_RNA)
where:
Base-Base interactions energy: -268.661
where: short stacking energy: -126.846
Base-Backbone interact. energy: 0.548
local terms energy: -194.210772
where:
bonds (distance) C4'-P energy: -52.363
bonds (distance) P-C4' energy: -50.135
flat angles C4'-P-C4' energy: -34.250
flat angles P-C4'-P energy: -35.182
tors. eta vs tors. theta energy: -22.280
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: 9, replica: 10
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -325.440807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.440807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.440807 (E_RNA)
where:
Base-Base interactions energy: -167.248
where: short stacking energy: -103.385
Base-Backbone interact. energy: 1.099
local terms energy: -159.291496
where:
bonds (distance) C4'-P energy: -31.316
bonds (distance) P-C4' energy: -45.911
flat angles C4'-P-C4' energy: -43.035
flat angles P-C4'-P energy: -25.063
tors. eta vs tors. theta energy: -13.967
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: 9
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -221.664188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.664188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.664188 (E_RNA)
where:
Base-Base interactions energy: -85.743
where: short stacking energy: -63.712
Base-Backbone interact. energy: 1.243
local terms energy: -137.164017
where:
bonds (distance) C4'-P energy: -41.029
bonds (distance) P-C4' energy: -42.347
flat angles C4'-P-C4' energy: -36.407
flat angles P-C4'-P energy: -27.713
tors. eta vs tors. theta energy: 10.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -912.989897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.989897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.989897 (E_RNA)
where:
Base-Base interactions energy: -645.014
where: short stacking energy: -283.080
Base-Backbone interact. energy: -1.191
local terms energy: -266.785677
where:
bonds (distance) C4'-P energy: -45.113
bonds (distance) P-C4' energy: -41.327
flat angles C4'-P-C4' energy: -61.495
flat angles P-C4'-P energy: -40.575
tors. eta vs tors. theta energy: -78.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -907.746327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.746327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.746327 (E_RNA)
where:
Base-Base interactions energy: -637.585
where: short stacking energy: -256.873
Base-Backbone interact. energy: 1.095
local terms energy: -271.256179
where:
bonds (distance) C4'-P energy: -44.266
bonds (distance) P-C4' energy: -57.703
flat angles C4'-P-C4' energy: -58.898
flat angles P-C4'-P energy: -42.852
tors. eta vs tors. theta energy: -67.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -866.904987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.904987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.904987 (E_RNA)
where:
Base-Base interactions energy: -599.061
where: short stacking energy: -263.793
Base-Backbone interact. energy: -1.967
local terms energy: -265.876763
where:
bonds (distance) C4'-P energy: -49.521
bonds (distance) P-C4' energy: -50.412
flat angles C4'-P-C4' energy: -67.819
flat angles P-C4'-P energy: -25.828
tors. eta vs tors. theta energy: -72.297
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: 4
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -821.770395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.770395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.770395 (E_RNA)
where:
Base-Base interactions energy: -566.334
where: short stacking energy: -247.367
Base-Backbone interact. energy: -1.092
local terms energy: -254.344892
where:
bonds (distance) C4'-P energy: -54.324
bonds (distance) P-C4' energy: -44.386
flat angles C4'-P-C4' energy: -54.670
flat angles P-C4'-P energy: -33.182
tors. eta vs tors. theta energy: -67.783
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: 6
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -757.637889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.637889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.637889 (E_RNA)
where:
Base-Base interactions energy: -529.604
where: short stacking energy: -216.093
Base-Backbone interact. energy: 4.626
local terms energy: -232.659708
where:
bonds (distance) C4'-P energy: -46.826
bonds (distance) P-C4' energy: -48.319
flat angles C4'-P-C4' energy: -50.899
flat angles P-C4'-P energy: -36.638
tors. eta vs tors. theta energy: -49.978
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: 8
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -677.327906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.327906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.327906 (E_RNA)
where:
Base-Base interactions energy: -448.270
where: short stacking energy: -180.628
Base-Backbone interact. energy: -0.142
local terms energy: -228.916205
where:
bonds (distance) C4'-P energy: -45.203
bonds (distance) P-C4' energy: -53.996
flat angles C4'-P-C4' energy: -42.681
flat angles P-C4'-P energy: -34.671
tors. eta vs tors. theta energy: -52.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -574.356348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.356348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.356348 (E_RNA)
where:
Base-Base interactions energy: -378.108
where: short stacking energy: -170.876
Base-Backbone interact. energy: 0.819
local terms energy: -197.068093
where:
bonds (distance) C4'-P energy: -40.837
bonds (distance) P-C4' energy: -46.475
flat angles C4'-P-C4' energy: -38.348
flat angles P-C4'-P energy: -39.014
tors. eta vs tors. theta energy: -32.394
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: 2
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -448.988940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.988940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.988940 (E_RNA)
where:
Base-Base interactions energy: -276.157
where: short stacking energy: -136.388
Base-Backbone interact. energy: -1.257
local terms energy: -171.574467
where:
bonds (distance) C4'-P energy: -39.367
bonds (distance) P-C4' energy: -41.216
flat angles C4'-P-C4' energy: -41.558
flat angles P-C4'-P energy: -27.779
tors. eta vs tors. theta energy: -21.654
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: 10
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -328.921124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.921124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.921124 (E_RNA)
where:
Base-Base interactions energy: -159.150
where: short stacking energy: -96.536
Base-Backbone interact. energy: -1.447
local terms energy: -168.325010
where:
bonds (distance) C4'-P energy: -46.181
bonds (distance) P-C4' energy: -57.249
flat angles C4'-P-C4' energy: -35.821
flat angles P-C4'-P energy: -22.699
tors. eta vs tors. theta energy: -6.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -233.014892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.014892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.014892 (E_RNA)
where:
Base-Base interactions energy: -75.368
where: short stacking energy: -56.851
Base-Backbone interact. energy: 3.408
local terms energy: -161.054419
where:
bonds (distance) C4'-P energy: -48.792
bonds (distance) P-C4' energy: -42.450
flat angles C4'-P-C4' energy: -38.767
flat angles P-C4'-P energy: -26.804
tors. eta vs tors. theta energy: -4.240
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: 3
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -924.364928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.364928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.364928 (E_RNA)
where:
Base-Base interactions energy: -639.204
where: short stacking energy: -289.469
Base-Backbone interact. energy: 1.309
local terms energy: -286.469342
where:
bonds (distance) C4'-P energy: -49.653
bonds (distance) P-C4' energy: -59.522
flat angles C4'-P-C4' energy: -57.860
flat angles P-C4'-P energy: -40.831
tors. eta vs tors. theta energy: -78.602
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: 1
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -875.044747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.044747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.044747 (E_RNA)
where:
Base-Base interactions energy: -628.950
where: short stacking energy: -255.506
Base-Backbone interact. energy: -2.458
local terms energy: -243.636390
where:
bonds (distance) C4'-P energy: -40.674
bonds (distance) P-C4' energy: -46.914
flat angles C4'-P-C4' energy: -52.931
flat angles P-C4'-P energy: -41.520
tors. eta vs tors. theta energy: -61.597
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: 281
Temperature: 1.000000
Total energy: -838.589173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.589173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.589173 (E_RNA)
where:
Base-Base interactions energy: -575.105
where: short stacking energy: -241.007
Base-Backbone interact. energy: -0.718
local terms energy: -262.765980
where:
bonds (distance) C4'-P energy: -49.312
bonds (distance) P-C4' energy: -51.779
flat angles C4'-P-C4' energy: -59.068
flat angles P-C4'-P energy: -38.074
tors. eta vs tors. theta energy: -64.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -835.376390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.376390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.376390 (E_RNA)
where:
Base-Base interactions energy: -576.641
where: short stacking energy: -234.484
Base-Backbone interact. energy: -1.610
local terms energy: -257.125181
where:
bonds (distance) C4'-P energy: -47.424
bonds (distance) P-C4' energy: -48.429
flat angles C4'-P-C4' energy: -57.511
flat angles P-C4'-P energy: -41.108
tors. eta vs tors. theta energy: -62.652
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: 6
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -732.961438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.961438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.961438 (E_RNA)
where:
Base-Base interactions energy: -499.062
where: short stacking energy: -210.195
Base-Backbone interact. energy: -1.386
local terms energy: -232.512980
where:
bonds (distance) C4'-P energy: -49.838
bonds (distance) P-C4' energy: -40.883
flat angles C4'-P-C4' energy: -49.137
flat angles P-C4'-P energy: -31.855
tors. eta vs tors. theta energy: -60.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -652.557229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.557229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.557229 (E_RNA)
where:
Base-Base interactions energy: -427.377
where: short stacking energy: -184.094
Base-Backbone interact. energy: 0.207
local terms energy: -225.387300
where:
bonds (distance) C4'-P energy: -43.438
bonds (distance) P-C4' energy: -41.955
flat angles C4'-P-C4' energy: -54.983
flat angles P-C4'-P energy: -35.638
tors. eta vs tors. theta energy: -49.375
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: 7
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -604.278851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.278851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.278851 (E_RNA)
where:
Base-Base interactions energy: -398.512
where: short stacking energy: -185.913
Base-Backbone interact. energy: -0.680
local terms energy: -205.086793
where:
bonds (distance) C4'-P energy: -37.510
bonds (distance) P-C4' energy: -54.147
flat angles C4'-P-C4' energy: -50.154
flat angles P-C4'-P energy: -26.869
tors. eta vs tors. theta energy: -36.408
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: 2
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -474.110913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.110913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.110913 (E_RNA)
where:
Base-Base interactions energy: -305.176
where: short stacking energy: -149.437
Base-Backbone interact. energy: 1.429
local terms energy: -170.364060
where:
bonds (distance) C4'-P energy: -38.629
bonds (distance) P-C4' energy: -38.573
flat angles C4'-P-C4' energy: -49.599
flat angles P-C4'-P energy: -20.554
tors. eta vs tors. theta energy: -23.009
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: 10
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -330.200343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.200343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.200343 (E_RNA)
where:
Base-Base interactions energy: -166.099
where: short stacking energy: -99.801
Base-Backbone interact. energy: -0.734
local terms energy: -163.367875
where:
bonds (distance) C4'-P energy: -36.686
bonds (distance) P-C4' energy: -55.225
flat angles C4'-P-C4' energy: -39.329
flat angles P-C4'-P energy: -27.381
tors. eta vs tors. theta energy: -4.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -226.053754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.053754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.053754 (E_RNA)
where:
Base-Base interactions energy: -74.066
where: short stacking energy: -57.894
Base-Backbone interact. energy: 1.604
local terms energy: -153.591090
where:
bonds (distance) C4'-P energy: -38.657
bonds (distance) P-C4' energy: -47.956
flat angles C4'-P-C4' energy: -38.656
flat angles P-C4'-P energy: -39.289
tors. eta vs tors. theta energy: 10.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -918.115443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.115443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.115443 (E_RNA)
where:
Base-Base interactions energy: -646.685
where: short stacking energy: -266.316
Base-Backbone interact. energy: -0.306
local terms energy: -271.124716
where:
bonds (distance) C4'-P energy: -51.007
bonds (distance) P-C4' energy: -55.268
flat angles C4'-P-C4' energy: -52.915
flat angles P-C4'-P energy: -38.096
tors. eta vs tors. theta energy: -73.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -891.073358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.073358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.073358 (E_RNA)
where:
Base-Base interactions energy: -613.756
where: short stacking energy: -258.672
Base-Backbone interact. energy: -2.410
local terms energy: -274.907375
where:
bonds (distance) C4'-P energy: -47.220
bonds (distance) P-C4' energy: -55.518
flat angles C4'-P-C4' energy: -60.496
flat angles P-C4'-P energy: -44.158
tors. eta vs tors. theta energy: -67.516
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: 282
Temperature: 1.000000
Total energy: -852.921178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.921178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.921178 (E_RNA)
where:
Base-Base interactions energy: -583.989
where: short stacking energy: -244.680
Base-Backbone interact. energy: -2.019
local terms energy: -266.913240
where:
bonds (distance) C4'-P energy: -47.154
bonds (distance) P-C4' energy: -52.924
flat angles C4'-P-C4' energy: -58.398
flat angles P-C4'-P energy: -40.359
tors. eta vs tors. theta energy: -68.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -820.438924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.438924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.438924 (E_RNA)
where:
Base-Base interactions energy: -566.635
where: short stacking energy: -256.999
Base-Backbone interact. energy: 2.930
local terms energy: -256.733982
where:
bonds (distance) C4'-P energy: -53.496
bonds (distance) P-C4' energy: -33.804
flat angles C4'-P-C4' energy: -63.979
flat angles P-C4'-P energy: -40.000
tors. eta vs tors. theta energy: -65.455
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: 6
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -768.280082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.280082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.280082 (E_RNA)
where:
Base-Base interactions energy: -523.497
where: short stacking energy: -219.437
Base-Backbone interact. energy: -2.292
local terms energy: -242.491021
where:
bonds (distance) C4'-P energy: -46.597
bonds (distance) P-C4' energy: -45.779
flat angles C4'-P-C4' energy: -56.060
flat angles P-C4'-P energy: -38.569
tors. eta vs tors. theta energy: -55.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -668.322784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.322784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.322784 (E_RNA)
where:
Base-Base interactions energy: -450.513
where: short stacking energy: -200.169
Base-Backbone interact. energy: -1.447
local terms energy: -216.362964
where:
bonds (distance) C4'-P energy: -40.877
bonds (distance) P-C4' energy: -46.952
flat angles C4'-P-C4' energy: -52.242
flat angles P-C4'-P energy: -27.858
tors. eta vs tors. theta energy: -48.432
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: 7
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -603.045472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.045472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.045472 (E_RNA)
where:
Base-Base interactions energy: -386.611
where: short stacking energy: -167.940
Base-Backbone interact. energy: -0.358
local terms energy: -216.077038
where:
bonds (distance) C4'-P energy: -43.012
bonds (distance) P-C4' energy: -53.094
flat angles C4'-P-C4' energy: -46.154
flat angles P-C4'-P energy: -38.237
tors. eta vs tors. theta energy: -35.581
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: 2
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -477.258486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.258486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.258486 (E_RNA)
where:
Base-Base interactions energy: -293.199
where: short stacking energy: -159.177
Base-Backbone interact. energy: 0.983
local terms energy: -185.042452
where:
bonds (distance) C4'-P energy: -43.670
bonds (distance) P-C4' energy: -40.867
flat angles C4'-P-C4' energy: -41.378
flat angles P-C4'-P energy: -29.071
tors. eta vs tors. theta energy: -30.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -391.378430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.378430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.378430 (E_RNA)
where:
Base-Base interactions energy: -235.261
where: short stacking energy: -110.761
Base-Backbone interact. energy: -0.715
local terms energy: -155.402856
where:
bonds (distance) C4'-P energy: -35.548
bonds (distance) P-C4' energy: -41.687
flat angles C4'-P-C4' energy: -41.658
flat angles P-C4'-P energy: -20.900
tors. eta vs tors. theta energy: -15.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -222.871363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.871363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.871363 (E_RNA)
where:
Base-Base interactions energy: -71.217
where: short stacking energy: -59.220
Base-Backbone interact. energy: 1.578
local terms energy: -153.232233
where:
bonds (distance) C4'-P energy: -44.511
bonds (distance) P-C4' energy: -43.799
flat angles C4'-P-C4' energy: -47.459
flat angles P-C4'-P energy: -27.388
tors. eta vs tors. theta energy: 9.925
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: 1, replica: 3
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -911.736013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.736013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.736013 (E_RNA)
where:
Base-Base interactions energy: -635.653
where: short stacking energy: -246.383
Base-Backbone interact. energy: -0.161
local terms energy: -275.922525
where:
bonds (distance) C4'-P energy: -52.920
bonds (distance) P-C4' energy: -56.015
flat angles C4'-P-C4' energy: -61.178
flat angles P-C4'-P energy: -39.578
tors. eta vs tors. theta energy: -66.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -871.456207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.456207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.456207 (E_RNA)
where:
Base-Base interactions energy: -608.954
where: short stacking energy: -275.333
Base-Backbone interact. energy: 1.788
local terms energy: -264.289914
where:
bonds (distance) C4'-P energy: -49.907
bonds (distance) P-C4' energy: -54.058
flat angles C4'-P-C4' energy: -57.495
flat angles P-C4'-P energy: -35.318
tors. eta vs tors. theta energy: -67.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -900.552785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.552785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.552785 (E_RNA)
where:
Base-Base interactions energy: -635.380
where: short stacking energy: -259.023
Base-Backbone interact. energy: -1.020
local terms energy: -264.153099
where:
bonds (distance) C4'-P energy: -45.885
bonds (distance) P-C4' energy: -55.501
flat angles C4'-P-C4' energy: -58.967
flat angles P-C4'-P energy: -37.505
tors. eta vs tors. theta energy: -66.297
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: 4
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -817.474024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.474024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.474024 (E_RNA)
where:
Base-Base interactions energy: -556.870
where: short stacking energy: -248.430
Base-Backbone interact. energy: -0.771
local terms energy: -259.832320
where:
bonds (distance) C4'-P energy: -50.000
bonds (distance) P-C4' energy: -52.013
flat angles C4'-P-C4' energy: -57.805
flat angles P-C4'-P energy: -37.448
tors. eta vs tors. theta energy: -62.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -753.879825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.879825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.879825 (E_RNA)
where:
Base-Base interactions energy: -520.778
where: short stacking energy: -220.525
Base-Backbone interact. energy: -0.607
local terms energy: -232.494325
where:
bonds (distance) C4'-P energy: -47.203
bonds (distance) P-C4' energy: -50.570
flat angles C4'-P-C4' energy: -54.088
flat angles P-C4'-P energy: -29.491
tors. eta vs tors. theta energy: -51.141
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: 8
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -695.742343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.742343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.742343 (E_RNA)
where:
Base-Base interactions energy: -462.387
where: short stacking energy: -202.060
Base-Backbone interact. energy: -1.231
local terms energy: -232.124374
where:
bonds (distance) C4'-P energy: -52.293
bonds (distance) P-C4' energy: -47.130
flat angles C4'-P-C4' energy: -50.968
flat angles P-C4'-P energy: -31.672
tors. eta vs tors. theta energy: -50.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -624.233835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.233835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.233835 (E_RNA)
where:
Base-Base interactions energy: -419.546
where: short stacking energy: -171.590
Base-Backbone interact. energy: -1.092
local terms energy: -203.595759
where:
bonds (distance) C4'-P energy: -36.505
bonds (distance) P-C4' energy: -41.655
flat angles C4'-P-C4' energy: -55.372
flat angles P-C4'-P energy: -33.639
tors. eta vs tors. theta energy: -36.425
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: 2
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -476.279176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.279176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.279176 (E_RNA)
where:
Base-Base interactions energy: -301.097
where: short stacking energy: -144.503
Base-Backbone interact. energy: -1.226
local terms energy: -173.955961
where:
bonds (distance) C4'-P energy: -33.544
bonds (distance) P-C4' energy: -49.066
flat angles C4'-P-C4' energy: -51.610
flat angles P-C4'-P energy: -18.252
tors. eta vs tors. theta energy: -21.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -363.521064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.521064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.521064 (E_RNA)
where:
Base-Base interactions energy: -201.039
where: short stacking energy: -103.256
Base-Backbone interact. energy: -0.550
local terms energy: -161.932004
where:
bonds (distance) C4'-P energy: -36.403
bonds (distance) P-C4' energy: -49.133
flat angles C4'-P-C4' energy: -41.295
flat angles P-C4'-P energy: -21.752
tors. eta vs tors. theta energy: -13.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -235.372199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.372199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.372199 (E_RNA)
where:
Base-Base interactions energy: -102.670
where: short stacking energy: -73.468
Base-Backbone interact. energy: -1.622
local terms energy: -131.080604
where:
bonds (distance) C4'-P energy: -42.602
bonds (distance) P-C4' energy: -42.079
flat angles C4'-P-C4' energy: -36.730
flat angles P-C4'-P energy: -17.918
tors. eta vs tors. theta energy: 8.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -922.973136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.973136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.973136 (E_RNA)
where:
Base-Base interactions energy: -635.728
where: short stacking energy: -265.080
Base-Backbone interact. energy: -2.521
local terms energy: -284.724309
where:
bonds (distance) C4'-P energy: -51.756
bonds (distance) P-C4' energy: -49.100
flat angles C4'-P-C4' energy: -62.098
flat angles P-C4'-P energy: -48.381
tors. eta vs tors. theta energy: -73.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -873.159189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.159189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.159189 (E_RNA)
where:
Base-Base interactions energy: -609.047
where: short stacking energy: -259.263
Base-Backbone interact. energy: 1.170
local terms energy: -265.281910
where:
bonds (distance) C4'-P energy: -48.580
bonds (distance) P-C4' energy: -59.623
flat angles C4'-P-C4' energy: -52.578
flat angles P-C4'-P energy: -37.898
tors. eta vs tors. theta energy: -66.603
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: 284
Temperature: 1.000000
Total energy: -862.645009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.645009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.645009 (E_RNA)
where:
Base-Base interactions energy: -597.642
where: short stacking energy: -256.682
Base-Backbone interact. energy: 0.902
local terms energy: -265.905647
where:
bonds (distance) C4'-P energy: -45.326
bonds (distance) P-C4' energy: -55.875
flat angles C4'-P-C4' energy: -59.269
flat angles P-C4'-P energy: -37.916
tors. eta vs tors. theta energy: -67.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -829.220267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.220267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.220267 (E_RNA)
where:
Base-Base interactions energy: -579.800
where: short stacking energy: -249.329
Base-Backbone interact. energy: -0.767
local terms energy: -248.653120
where:
bonds (distance) C4'-P energy: -45.420
bonds (distance) P-C4' energy: -51.885
flat angles C4'-P-C4' energy: -52.438
flat angles P-C4'-P energy: -30.974
tors. eta vs tors. theta energy: -67.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -734.689602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.689602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.689602 (E_RNA)
where:
Base-Base interactions energy: -488.462
where: short stacking energy: -208.339
Base-Backbone interact. energy: 1.141
local terms energy: -247.367960
where:
bonds (distance) C4'-P energy: -44.530
bonds (distance) P-C4' energy: -52.605
flat angles C4'-P-C4' energy: -59.115
flat angles P-C4'-P energy: -37.551
tors. eta vs tors. theta energy: -53.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -674.954907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.954907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.954907 (E_RNA)
where:
Base-Base interactions energy: -431.506
where: short stacking energy: -186.903
Base-Backbone interact. energy: -1.902
local terms energy: -241.547020
where:
bonds (distance) C4'-P energy: -50.029
bonds (distance) P-C4' energy: -51.163
flat angles C4'-P-C4' energy: -53.974
flat angles P-C4'-P energy: -32.943
tors. eta vs tors. theta energy: -53.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -607.940753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.940753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.940753 (E_RNA)
where:
Base-Base interactions energy: -393.303
where: short stacking energy: -174.311
Base-Backbone interact. energy: -1.335
local terms energy: -213.302412
where:
bonds (distance) C4'-P energy: -42.068
bonds (distance) P-C4' energy: -45.969
flat angles C4'-P-C4' energy: -54.304
flat angles P-C4'-P energy: -31.351
tors. eta vs tors. theta energy: -39.611
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: 2
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -450.233854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.233854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.233854 (E_RNA)
where:
Base-Base interactions energy: -262.329
where: short stacking energy: -118.654
Base-Backbone interact. energy: -0.907
local terms energy: -186.998101
where:
bonds (distance) C4'-P energy: -41.666
bonds (distance) P-C4' energy: -49.103
flat angles C4'-P-C4' energy: -43.945
flat angles P-C4'-P energy: -33.501
tors. eta vs tors. theta energy: -18.783
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: 9, replica: 9
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -249.250964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.250964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.250964 (E_RNA)
where:
Base-Base interactions energy: -89.643
where: short stacking energy: -74.614
Base-Backbone interact. energy: 1.406
local terms energy: -161.014091
where:
bonds (distance) C4'-P energy: -42.639
bonds (distance) P-C4' energy: -43.209
flat angles C4'-P-C4' energy: -40.877
flat angles P-C4'-P energy: -29.783
tors. eta vs tors. theta energy: -4.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -313.780374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.780374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.780374 (E_RNA)
where:
Base-Base interactions energy: -161.364
where: short stacking energy: -73.864
Base-Backbone interact. energy: 0.089
local terms energy: -152.505640
where:
bonds (distance) C4'-P energy: -43.432
bonds (distance) P-C4' energy: -45.281
flat angles C4'-P-C4' energy: -42.414
flat angles P-C4'-P energy: -21.882
tors. eta vs tors. theta energy: 0.504
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: 3
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -908.921092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.921092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.921092 (E_RNA)
where:
Base-Base interactions energy: -641.443
where: short stacking energy: -262.204
Base-Backbone interact. energy: -2.164
local terms energy: -265.313946
where:
bonds (distance) C4'-P energy: -48.528
bonds (distance) P-C4' energy: -53.779
flat angles C4'-P-C4' energy: -57.732
flat angles P-C4'-P energy: -39.319
tors. eta vs tors. theta energy: -65.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -880.425606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.425606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.425606 (E_RNA)
where:
Base-Base interactions energy: -606.140
where: short stacking energy: -269.897
Base-Backbone interact. energy: -0.660
local terms energy: -273.626220
where:
bonds (distance) C4'-P energy: -53.322
bonds (distance) P-C4' energy: -51.445
flat angles C4'-P-C4' energy: -61.949
flat angles P-C4'-P energy: -28.698
tors. eta vs tors. theta energy: -78.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -851.436719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.436719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.436719 (E_RNA)
where:
Base-Base interactions energy: -581.631
where: short stacking energy: -247.908
Base-Backbone interact. energy: -0.879
local terms energy: -268.926265
where:
bonds (distance) C4'-P energy: -49.415
bonds (distance) P-C4' energy: -51.861
flat angles C4'-P-C4' energy: -52.733
flat angles P-C4'-P energy: -43.738
tors. eta vs tors. theta energy: -71.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -822.614946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.614946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.614946 (E_RNA)
where:
Base-Base interactions energy: -559.548
where: short stacking energy: -236.719
Base-Backbone interact. energy: -0.114
local terms energy: -262.952313
where:
bonds (distance) C4'-P energy: -50.657
bonds (distance) P-C4' energy: -46.128
flat angles C4'-P-C4' energy: -56.313
flat angles P-C4'-P energy: -41.321
tors. eta vs tors. theta energy: -68.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -747.352497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.352497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.352497 (E_RNA)
where:
Base-Base interactions energy: -508.632
where: short stacking energy: -220.011
Base-Backbone interact. energy: -0.428
local terms energy: -238.292097
where:
bonds (distance) C4'-P energy: -40.746
bonds (distance) P-C4' energy: -45.352
flat angles C4'-P-C4' energy: -54.581
flat angles P-C4'-P energy: -41.513
tors. eta vs tors. theta energy: -56.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -668.793846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.793846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.793846 (E_RNA)
where:
Base-Base interactions energy: -455.190
where: short stacking energy: -193.511
Base-Backbone interact. energy: -1.386
local terms energy: -212.216895
where:
bonds (distance) C4'-P energy: -44.676
bonds (distance) P-C4' energy: -43.316
flat angles C4'-P-C4' energy: -44.675
flat angles P-C4'-P energy: -33.788
tors. eta vs tors. theta energy: -45.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -616.029096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.029096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.029096 (E_RNA)
where:
Base-Base interactions energy: -399.264
where: short stacking energy: -172.539
Base-Backbone interact. energy: -0.777
local terms energy: -215.988109
where:
bonds (distance) C4'-P energy: -53.291
bonds (distance) P-C4' energy: -43.467
flat angles C4'-P-C4' energy: -48.674
flat angles P-C4'-P energy: -28.089
tors. eta vs tors. theta energy: -42.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -482.028077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.028077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.028077 (E_RNA)
where:
Base-Base interactions energy: -288.616
where: short stacking energy: -131.563
Base-Backbone interact. energy: -0.924
local terms energy: -192.488071
where:
bonds (distance) C4'-P energy: -50.215
bonds (distance) P-C4' energy: -39.905
flat angles C4'-P-C4' energy: -45.389
flat angles P-C4'-P energy: -31.279
tors. eta vs tors. theta energy: -25.701
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: 9, replica: 9
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -238.564203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.564203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.564203 (E_RNA)
where:
Base-Base interactions energy: -99.099
where: short stacking energy: -75.511
Base-Backbone interact. energy: -0.530
local terms energy: -138.934827
where:
bonds (distance) C4'-P energy: -42.589
bonds (distance) P-C4' energy: -39.256
flat angles C4'-P-C4' energy: -43.890
flat angles P-C4'-P energy: -11.627
tors. eta vs tors. theta energy: -1.572
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: 10
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -308.920584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.920584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.920584 (E_RNA)
where:
Base-Base interactions energy: -159.958
where: short stacking energy: -80.632
Base-Backbone interact. energy: 3.121
local terms energy: -152.084330
where:
bonds (distance) C4'-P energy: -46.505
bonds (distance) P-C4' energy: -43.613
flat angles C4'-P-C4' energy: -33.985
flat angles P-C4'-P energy: -25.294
tors. eta vs tors. theta energy: -2.687
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: 3
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -904.839680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.839680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.839680 (E_RNA)
where:
Base-Base interactions energy: -636.982
where: short stacking energy: -248.162
Base-Backbone interact. energy: 2.014
local terms energy: -269.871578
where:
bonds (distance) C4'-P energy: -49.339
bonds (distance) P-C4' energy: -57.270
flat angles C4'-P-C4' energy: -57.231
flat angles P-C4'-P energy: -43.505
tors. eta vs tors. theta energy: -62.526
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: 2, replica: 5
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -884.234696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.234696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.234696 (E_RNA)
where:
Base-Base interactions energy: -595.773
where: short stacking energy: -259.310
Base-Backbone interact. energy: -0.877
local terms energy: -287.583885
where:
bonds (distance) C4'-P energy: -51.782
bonds (distance) P-C4' energy: -53.343
flat angles C4'-P-C4' energy: -60.430
flat angles P-C4'-P energy: -48.485
tors. eta vs tors. theta energy: -73.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -884.003156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.003156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.003156 (E_RNA)
where:
Base-Base interactions energy: -623.626
where: short stacking energy: -262.234
Base-Backbone interact. energy: -2.280
local terms energy: -258.096999
where:
bonds (distance) C4'-P energy: -42.700
bonds (distance) P-C4' energy: -47.739
flat angles C4'-P-C4' energy: -55.852
flat angles P-C4'-P energy: -42.827
tors. eta vs tors. theta energy: -68.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -793.951793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.951793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.951793 (E_RNA)
where:
Base-Base interactions energy: -537.853
where: short stacking energy: -239.880
Base-Backbone interact. energy: -0.277
local terms energy: -255.821726
where:
bonds (distance) C4'-P energy: -49.200
bonds (distance) P-C4' energy: -47.757
flat angles C4'-P-C4' energy: -53.654
flat angles P-C4'-P energy: -35.979
tors. eta vs tors. theta energy: -69.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -722.226119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.226119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.226119 (E_RNA)
where:
Base-Base interactions energy: -491.767
where: short stacking energy: -227.968
Base-Backbone interact. energy: 0.028
local terms energy: -230.487060
where:
bonds (distance) C4'-P energy: -36.526
bonds (distance) P-C4' energy: -40.466
flat angles C4'-P-C4' energy: -57.117
flat angles P-C4'-P energy: -37.928
tors. eta vs tors. theta energy: -58.451
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: 6, replica: 8
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -647.318541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.318541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.318541 (E_RNA)
where:
Base-Base interactions energy: -403.229
where: short stacking energy: -193.743
Base-Backbone interact. energy: -0.737
local terms energy: -243.352306
where:
bonds (distance) C4'-P energy: -56.264
bonds (distance) P-C4' energy: -42.530
flat angles C4'-P-C4' energy: -57.324
flat angles P-C4'-P energy: -35.177
tors. eta vs tors. theta energy: -52.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -615.306432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.306432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.306432 (E_RNA)
where:
Base-Base interactions energy: -398.973
where: short stacking energy: -183.133
Base-Backbone interact. energy: 0.900
local terms energy: -217.233457
where:
bonds (distance) C4'-P energy: -47.721
bonds (distance) P-C4' energy: -48.006
flat angles C4'-P-C4' energy: -44.090
flat angles P-C4'-P energy: -31.341
tors. eta vs tors. theta energy: -46.076
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: 2
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -464.210560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.210560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.210560 (E_RNA)
where:
Base-Base interactions energy: -276.322
where: short stacking energy: -135.918
Base-Backbone interact. energy: -0.695
local terms energy: -187.193456
where:
bonds (distance) C4'-P energy: -48.171
bonds (distance) P-C4' energy: -45.279
flat angles C4'-P-C4' energy: -40.180
flat angles P-C4'-P energy: -29.308
tors. eta vs tors. theta energy: -24.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -300.258466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.258466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.258466 (E_RNA)
where:
Base-Base interactions energy: -134.776
where: short stacking energy: -83.133
Base-Backbone interact. energy: 0.780
local terms energy: -166.261916
where:
bonds (distance) C4'-P energy: -50.105
bonds (distance) P-C4' energy: -51.588
flat angles C4'-P-C4' energy: -42.805
flat angles P-C4'-P energy: -25.737
tors. eta vs tors. theta energy: 3.973
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: 9
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -227.908096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.908096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.908096 (E_RNA)
where:
Base-Base interactions energy: -83.005
where: short stacking energy: -72.369
Base-Backbone interact. energy: -0.015
local terms energy: -144.887919
where:
bonds (distance) C4'-P energy: -40.533
bonds (distance) P-C4' energy: -41.471
flat angles C4'-P-C4' energy: -41.068
flat angles P-C4'-P energy: -21.716
tors. eta vs tors. theta energy: -0.099
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: 3
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -928.269558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.269558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.269558 (E_RNA)
where:
Base-Base interactions energy: -651.016
where: short stacking energy: -263.007
Base-Backbone interact. energy: -1.309
local terms energy: -275.944074
where:
bonds (distance) C4'-P energy: -47.968
bonds (distance) P-C4' energy: -58.117
flat angles C4'-P-C4' energy: -62.304
flat angles P-C4'-P energy: -34.976
tors. eta vs tors. theta energy: -72.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -877.646984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.646984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.646984 (E_RNA)
where:
Base-Base interactions energy: -598.507
where: short stacking energy: -267.074
Base-Backbone interact. energy: -1.235
local terms energy: -277.904788
where:
bonds (distance) C4'-P energy: -53.973
bonds (distance) P-C4' energy: -47.320
flat angles C4'-P-C4' energy: -58.088
flat angles P-C4'-P energy: -46.182
tors. eta vs tors. theta energy: -72.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -883.104694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.104694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.104694 (E_RNA)
where:
Base-Base interactions energy: -611.485
where: short stacking energy: -269.878
Base-Backbone interact. energy: -1.862
local terms energy: -269.758173
where:
bonds (distance) C4'-P energy: -44.655
bonds (distance) P-C4' energy: -52.009
flat angles C4'-P-C4' energy: -61.849
flat angles P-C4'-P energy: -38.403
tors. eta vs tors. theta energy: -72.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -795.142976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.142976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.142976 (E_RNA)
where:
Base-Base interactions energy: -519.299
where: short stacking energy: -232.800
Base-Backbone interact. energy: -0.373
local terms energy: -275.470560
where:
bonds (distance) C4'-P energy: -59.000
bonds (distance) P-C4' energy: -53.711
flat angles C4'-P-C4' energy: -55.078
flat angles P-C4'-P energy: -40.159
tors. eta vs tors. theta energy: -67.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -740.413113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.413113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.413113 (E_RNA)
where:
Base-Base interactions energy: -510.360
where: short stacking energy: -229.895
Base-Backbone interact. energy: 1.463
local terms energy: -231.516469
where:
bonds (distance) C4'-P energy: -30.127
bonds (distance) P-C4' energy: -48.311
flat angles C4'-P-C4' energy: -58.595
flat angles P-C4'-P energy: -38.605
tors. eta vs tors. theta energy: -55.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -643.272776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.272776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.272776 (E_RNA)
where:
Base-Base interactions energy: -418.672
where: short stacking energy: -188.174
Base-Backbone interact. energy: -0.986
local terms energy: -223.615076
where:
bonds (distance) C4'-P energy: -49.261
bonds (distance) P-C4' energy: -40.468
flat angles C4'-P-C4' energy: -54.368
flat angles P-C4'-P energy: -34.613
tors. eta vs tors. theta energy: -44.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -605.109317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.109317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.109317 (E_RNA)
where:
Base-Base interactions energy: -389.384
where: short stacking energy: -189.572
Base-Backbone interact. energy: -0.622
local terms energy: -215.103526
where:
bonds (distance) C4'-P energy: -40.756
bonds (distance) P-C4' energy: -49.725
flat angles C4'-P-C4' energy: -43.356
flat angles P-C4'-P energy: -35.655
tors. eta vs tors. theta energy: -45.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -484.472458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.472458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.472458 (E_RNA)
where:
Base-Base interactions energy: -298.385
where: short stacking energy: -144.820
Base-Backbone interact. energy: -1.205
local terms energy: -184.882162
where:
bonds (distance) C4'-P energy: -47.675
bonds (distance) P-C4' energy: -41.046
flat angles C4'-P-C4' energy: -41.077
flat angles P-C4'-P energy: -27.128
tors. eta vs tors. theta energy: -27.956
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: 10
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -262.562110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.562110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.562110 (E_RNA)
where:
Base-Base interactions energy: -94.619
where: short stacking energy: -88.142
Base-Backbone interact. energy: 1.498
local terms energy: -169.440994
where:
bonds (distance) C4'-P energy: -53.240
bonds (distance) P-C4' energy: -52.290
flat angles C4'-P-C4' energy: -43.149
flat angles P-C4'-P energy: -20.462
tors. eta vs tors. theta energy: -0.301
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: 9
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -233.698160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.698160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.698160 (E_RNA)
where:
Base-Base interactions energy: -92.358
where: short stacking energy: -69.452
Base-Backbone interact. energy: 2.268
local terms energy: -143.608726
where:
bonds (distance) C4'-P energy: -42.304
bonds (distance) P-C4' energy: -42.590
flat angles C4'-P-C4' energy: -49.315
flat angles P-C4'-P energy: -18.658
tors. eta vs tors. theta energy: 9.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -928.004958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.004958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.004958 (E_RNA)
where:
Base-Base interactions energy: -660.350
where: short stacking energy: -266.695
Base-Backbone interact. energy: 2.929
local terms energy: -270.584329
where:
bonds (distance) C4'-P energy: -55.350
bonds (distance) P-C4' energy: -46.051
flat angles C4'-P-C4' energy: -59.214
flat angles P-C4'-P energy: -39.884
tors. eta vs tors. theta energy: -70.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -901.445901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.445901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.445901 (E_RNA)
where:
Base-Base interactions energy: -627.596
where: short stacking energy: -251.821
Base-Backbone interact. energy: -1.000
local terms energy: -272.849672
where:
bonds (distance) C4'-P energy: -43.524
bonds (distance) P-C4' energy: -57.840
flat angles C4'-P-C4' energy: -59.089
flat angles P-C4'-P energy: -44.249
tors. eta vs tors. theta energy: -68.148
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: 1
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -875.049960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.049960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.049960 (E_RNA)
where:
Base-Base interactions energy: -621.539
where: short stacking energy: -276.145
Base-Backbone interact. energy: -0.810
local terms energy: -252.701164
where:
bonds (distance) C4'-P energy: -42.563
bonds (distance) P-C4' energy: -52.272
flat angles C4'-P-C4' energy: -48.932
flat angles P-C4'-P energy: -36.412
tors. eta vs tors. theta energy: -72.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -803.411847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.411847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.411847 (E_RNA)
where:
Base-Base interactions energy: -563.112
where: short stacking energy: -249.438
Base-Backbone interact. energy: 3.400
local terms energy: -243.700158
where:
bonds (distance) C4'-P energy: -44.456
bonds (distance) P-C4' energy: -47.717
flat angles C4'-P-C4' energy: -53.430
flat angles P-C4'-P energy: -37.258
tors. eta vs tors. theta energy: -60.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -741.051638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.051638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.051638 (E_RNA)
where:
Base-Base interactions energy: -491.337
where: short stacking energy: -216.439
Base-Backbone interact. energy: -0.768
local terms energy: -248.946985
where:
bonds (distance) C4'-P energy: -42.017
bonds (distance) P-C4' energy: -50.125
flat angles C4'-P-C4' energy: -55.419
flat angles P-C4'-P energy: -45.756
tors. eta vs tors. theta energy: -55.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -626.174348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.174348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.174348 (E_RNA)
where:
Base-Base interactions energy: -389.868
where: short stacking energy: -191.799
Base-Backbone interact. energy: -0.260
local terms energy: -236.046750
where:
bonds (distance) C4'-P energy: -48.929
bonds (distance) P-C4' energy: -53.138
flat angles C4'-P-C4' energy: -58.986
flat angles P-C4'-P energy: -31.124
tors. eta vs tors. theta energy: -43.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -579.164118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.164118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.164118 (E_RNA)
where:
Base-Base interactions energy: -365.453
where: short stacking energy: -170.044
Base-Backbone interact. energy: -0.317
local terms energy: -213.394692
where:
bonds (distance) C4'-P energy: -50.679
bonds (distance) P-C4' energy: -53.939
flat angles C4'-P-C4' energy: -43.941
flat angles P-C4'-P energy: -29.791
tors. eta vs tors. theta energy: -35.045
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: 2
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -443.163520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.163520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.163520 (E_RNA)
where:
Base-Base interactions energy: -258.086
where: short stacking energy: -119.913
Base-Backbone interact. energy: -0.779
local terms energy: -184.298328
where:
bonds (distance) C4'-P energy: -38.453
bonds (distance) P-C4' energy: -40.406
flat angles C4'-P-C4' energy: -49.557
flat angles P-C4'-P energy: -35.481
tors. eta vs tors. theta energy: -20.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -241.273278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.273278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.273278 (E_RNA)
where:
Base-Base interactions energy: -99.542
where: short stacking energy: -86.315
Base-Backbone interact. energy: 4.363
local terms energy: -146.094654
where:
bonds (distance) C4'-P energy: -37.880
bonds (distance) P-C4' energy: -51.264
flat angles C4'-P-C4' energy: -36.543
flat angles P-C4'-P energy: -21.258
tors. eta vs tors. theta energy: 0.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -226.711063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.711063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.711063 (E_RNA)
where:
Base-Base interactions energy: -79.699
where: short stacking energy: -65.368
Base-Backbone interact. energy: 2.071
local terms energy: -149.082614
where:
bonds (distance) C4'-P energy: -39.959
bonds (distance) P-C4' energy: -49.397
flat angles C4'-P-C4' energy: -44.400
flat angles P-C4'-P energy: -12.076
tors. eta vs tors. theta energy: -3.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -934.492054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.492054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.492054 (E_RNA)
where:
Base-Base interactions energy: -650.964
where: short stacking energy: -266.540
Base-Backbone interact. energy: -0.421
local terms energy: -283.106670
where:
bonds (distance) C4'-P energy: -59.426
bonds (distance) P-C4' energy: -53.102
flat angles C4'-P-C4' energy: -59.420
flat angles P-C4'-P energy: -41.334
tors. eta vs tors. theta energy: -69.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -867.915981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.915981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.915981 (E_RNA)
where:
Base-Base interactions energy: -607.421
where: short stacking energy: -244.174
Base-Backbone interact. energy: 0.894
local terms energy: -261.389416
where:
bonds (distance) C4'-P energy: -54.301
bonds (distance) P-C4' energy: -52.802
flat angles C4'-P-C4' energy: -52.601
flat angles P-C4'-P energy: -32.715
tors. eta vs tors. theta energy: -68.970
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: 5
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -840.385495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.385495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.385495 (E_RNA)
where:
Base-Base interactions energy: -595.681
where: short stacking energy: -258.339
Base-Backbone interact. energy: -0.442
local terms energy: -244.262324
where:
bonds (distance) C4'-P energy: -49.370
bonds (distance) P-C4' energy: -38.672
flat angles C4'-P-C4' energy: -58.763
flat angles P-C4'-P energy: -28.508
tors. eta vs tors. theta energy: -68.950
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: 4, replica: 4
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -806.411424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.411424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.411424 (E_RNA)
where:
Base-Base interactions energy: -551.377
where: short stacking energy: -233.924
Base-Backbone interact. energy: -1.642
local terms energy: -253.392110
where:
bonds (distance) C4'-P energy: -42.708
bonds (distance) P-C4' energy: -52.104
flat angles C4'-P-C4' energy: -52.570
flat angles P-C4'-P energy: -43.037
tors. eta vs tors. theta energy: -62.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -764.161401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.161401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.161401 (E_RNA)
where:
Base-Base interactions energy: -520.722
where: short stacking energy: -223.300
Base-Backbone interact. energy: 1.525
local terms energy: -244.964229
where:
bonds (distance) C4'-P energy: -48.895
bonds (distance) P-C4' energy: -55.574
flat angles C4'-P-C4' energy: -53.672
flat angles P-C4'-P energy: -32.767
tors. eta vs tors. theta energy: -54.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -633.420874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.420874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.420874 (E_RNA)
where:
Base-Base interactions energy: -411.894
where: short stacking energy: -171.047
Base-Backbone interact. energy: -1.657
local terms energy: -219.869689
where:
bonds (distance) C4'-P energy: -43.276
bonds (distance) P-C4' energy: -49.898
flat angles C4'-P-C4' energy: -58.807
flat angles P-C4'-P energy: -35.044
tors. eta vs tors. theta energy: -32.844
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: 7, replica: 7
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -637.090948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.090948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.090948 (E_RNA)
where:
Base-Base interactions energy: -413.394
where: short stacking energy: -180.006
Base-Backbone interact. energy: 0.417
local terms energy: -224.114547
where:
bonds (distance) C4'-P energy: -48.941
bonds (distance) P-C4' energy: -47.687
flat angles C4'-P-C4' energy: -48.349
flat angles P-C4'-P energy: -33.848
tors. eta vs tors. theta energy: -45.290
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: 8, replica: 2
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -452.917823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.917823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.917823 (E_RNA)
where:
Base-Base interactions energy: -271.355
where: short stacking energy: -122.836
Base-Backbone interact. energy: -0.516
local terms energy: -181.046787
where:
bonds (distance) C4'-P energy: -53.211
bonds (distance) P-C4' energy: -48.676
flat angles C4'-P-C4' energy: -33.146
flat angles P-C4'-P energy: -22.704
tors. eta vs tors. theta energy: -23.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -247.882915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.882915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.882915 (E_RNA)
where:
Base-Base interactions energy: -87.123
where: short stacking energy: -84.983
Base-Backbone interact. energy: -1.333
local terms energy: -159.427610
where:
bonds (distance) C4'-P energy: -44.006
bonds (distance) P-C4' energy: -49.090
flat angles C4'-P-C4' energy: -43.758
flat angles P-C4'-P energy: -14.830
tors. eta vs tors. theta energy: -7.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -233.756101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.756101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.756101 (E_RNA)
where:
Base-Base interactions energy: -92.440
where: short stacking energy: -82.944
Base-Backbone interact. energy: -0.297
local terms energy: -141.018898
where:
bonds (distance) C4'-P energy: -44.258
bonds (distance) P-C4' energy: -48.181
flat angles C4'-P-C4' energy: -32.525
flat angles P-C4'-P energy: -12.614
tors. eta vs tors. theta energy: -3.441
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: 1, replica: 3
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -918.281213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.281213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.281213 (E_RNA)
where:
Base-Base interactions energy: -632.961
where: short stacking energy: -269.428
Base-Backbone interact. energy: -0.770
local terms energy: -284.551084
where:
bonds (distance) C4'-P energy: -53.487
bonds (distance) P-C4' energy: -54.747
flat angles C4'-P-C4' energy: -58.803
flat angles P-C4'-P energy: -40.215
tors. eta vs tors. theta energy: -77.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -880.708727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.708727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.708727 (E_RNA)
where:
Base-Base interactions energy: -596.584
where: short stacking energy: -259.650
Base-Backbone interact. energy: -1.709
local terms energy: -282.415464
where:
bonds (distance) C4'-P energy: -53.867
bonds (distance) P-C4' energy: -52.517
flat angles C4'-P-C4' energy: -62.130
flat angles P-C4'-P energy: -43.066
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: 3, replica: 5
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -846.230989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.230989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.230989 (E_RNA)
where:
Base-Base interactions energy: -568.057
where: short stacking energy: -262.276
Base-Backbone interact. energy: -0.443
local terms energy: -277.731538
where:
bonds (distance) C4'-P energy: -43.137
bonds (distance) P-C4' energy: -58.561
flat angles C4'-P-C4' energy: -62.798
flat angles P-C4'-P energy: -38.904
tors. eta vs tors. theta energy: -74.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -777.478513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.478513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.478513 (E_RNA)
where:
Base-Base interactions energy: -542.763
where: short stacking energy: -234.639
Base-Backbone interact. energy: -0.530
local terms energy: -234.185667
where:
bonds (distance) C4'-P energy: -41.103
bonds (distance) P-C4' energy: -50.894
flat angles C4'-P-C4' energy: -57.755
flat angles P-C4'-P energy: -24.607
tors. eta vs tors. theta energy: -59.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -769.674751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.674751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.674751 (E_RNA)
where:
Base-Base interactions energy: -530.079
where: short stacking energy: -234.008
Base-Backbone interact. energy: 0.792
local terms energy: -240.388037
where:
bonds (distance) C4'-P energy: -52.129
bonds (distance) P-C4' energy: -43.644
flat angles C4'-P-C4' energy: -54.173
flat angles P-C4'-P energy: -35.293
tors. eta vs tors. theta energy: -55.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -648.868679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.868679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.868679 (E_RNA)
where:
Base-Base interactions energy: -430.858
where: short stacking energy: -200.219
Base-Backbone interact. energy: -1.629
local terms energy: -216.381582
where:
bonds (distance) C4'-P energy: -45.967
bonds (distance) P-C4' energy: -44.568
flat angles C4'-P-C4' energy: -57.908
flat angles P-C4'-P energy: -24.288
tors. eta vs tors. theta energy: -43.650
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: 7
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -589.043888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.043888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.043888 (E_RNA)
where:
Base-Base interactions energy: -385.004
where: short stacking energy: -181.340
Base-Backbone interact. energy: -0.981
local terms energy: -203.058663
where:
bonds (distance) C4'-P energy: -37.004
bonds (distance) P-C4' energy: -46.740
flat angles C4'-P-C4' energy: -45.793
flat angles P-C4'-P energy: -32.566
tors. eta vs tors. theta energy: -40.955
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: 2
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -456.725385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.725385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.725385 (E_RNA)
where:
Base-Base interactions energy: -262.886
where: short stacking energy: -131.921
Base-Backbone interact. energy: 0.503
local terms energy: -194.342527
where:
bonds (distance) C4'-P energy: -48.563
bonds (distance) P-C4' energy: -42.473
flat angles C4'-P-C4' energy: -43.702
flat angles P-C4'-P energy: -30.974
tors. eta vs tors. theta energy: -28.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -290.216295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.216295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.216295 (E_RNA)
where:
Base-Base interactions energy: -137.739
where: short stacking energy: -80.634
Base-Backbone interact. energy: 0.973
local terms energy: -153.450019
where:
bonds (distance) C4'-P energy: -42.681
bonds (distance) P-C4' energy: -39.079
flat angles C4'-P-C4' energy: -51.958
flat angles P-C4'-P energy: -22.140
tors. eta vs tors. theta energy: 2.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -222.134918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.134918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.134918 (E_RNA)
where:
Base-Base interactions energy: -83.289
where: short stacking energy: -74.085
Base-Backbone interact. energy: 1.384
local terms energy: -140.230853
where:
bonds (distance) C4'-P energy: -48.066
bonds (distance) P-C4' energy: -47.911
flat angles C4'-P-C4' energy: -36.690
flat angles P-C4'-P energy: -11.180
tors. eta vs tors. theta energy: 3.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -919.987220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.987220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.987220 (E_RNA)
where:
Base-Base interactions energy: -642.115
where: short stacking energy: -266.823
Base-Backbone interact. energy: -0.298
local terms energy: -277.575072
where:
bonds (distance) C4'-P energy: -46.937
bonds (distance) P-C4' energy: -53.681
flat angles C4'-P-C4' energy: -66.244
flat angles P-C4'-P energy: -43.518
tors. eta vs tors. theta energy: -67.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -876.022498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.022498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.022498 (E_RNA)
where:
Base-Base interactions energy: -608.428
where: short stacking energy: -266.623
Base-Backbone interact. energy: -0.948
local terms energy: -266.646442
where:
bonds (distance) C4'-P energy: -48.445
bonds (distance) P-C4' energy: -52.387
flat angles C4'-P-C4' energy: -54.281
flat angles P-C4'-P energy: -39.650
tors. eta vs tors. theta energy: -71.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -836.331498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.331498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.331498 (E_RNA)
where:
Base-Base interactions energy: -579.179
where: short stacking energy: -251.361
Base-Backbone interact. energy: -1.701
local terms energy: -255.451270
where:
bonds (distance) C4'-P energy: -45.472
bonds (distance) P-C4' energy: -47.138
flat angles C4'-P-C4' energy: -60.423
flat angles P-C4'-P energy: -34.813
tors. eta vs tors. theta energy: -67.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -823.503067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.503067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.503067 (E_RNA)
where:
Base-Base interactions energy: -560.520
where: short stacking energy: -251.099
Base-Backbone interact. energy: -0.188
local terms energy: -262.795298
where:
bonds (distance) C4'-P energy: -43.206
bonds (distance) P-C4' energy: -52.191
flat angles C4'-P-C4' energy: -61.813
flat angles P-C4'-P energy: -36.977
tors. eta vs tors. theta energy: -68.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -775.101610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.101610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.101610 (E_RNA)
where:
Base-Base interactions energy: -528.400
where: short stacking energy: -222.974
Base-Backbone interact. energy: -2.028
local terms energy: -244.673447
where:
bonds (distance) C4'-P energy: -49.950
bonds (distance) P-C4' energy: -51.525
flat angles C4'-P-C4' energy: -50.382
flat angles P-C4'-P energy: -36.922
tors. eta vs tors. theta energy: -55.894
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: 8
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -640.461175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.461175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.461175 (E_RNA)
where:
Base-Base interactions energy: -429.058
where: short stacking energy: -203.104
Base-Backbone interact. energy: 0.776
local terms energy: -212.179638
where:
bonds (distance) C4'-P energy: -37.484
bonds (distance) P-C4' energy: -47.328
flat angles C4'-P-C4' energy: -50.802
flat angles P-C4'-P energy: -34.501
tors. eta vs tors. theta energy: -42.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -599.675230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.675230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.675230 (E_RNA)
where:
Base-Base interactions energy: -371.988
where: short stacking energy: -183.264
Base-Backbone interact. energy: -0.114
local terms energy: -227.572744
where:
bonds (distance) C4'-P energy: -39.421
bonds (distance) P-C4' energy: -55.414
flat angles C4'-P-C4' energy: -53.118
flat angles P-C4'-P energy: -29.224
tors. eta vs tors. theta energy: -50.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -471.175071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.175071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.175071 (E_RNA)
where:
Base-Base interactions energy: -278.039
where: short stacking energy: -142.275
Base-Backbone interact. energy: 0.778
local terms energy: -193.914154
where:
bonds (distance) C4'-P energy: -48.017
bonds (distance) P-C4' energy: -32.392
flat angles C4'-P-C4' energy: -50.593
flat angles P-C4'-P energy: -34.692
tors. eta vs tors. theta energy: -28.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -328.351348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.351348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.351348 (E_RNA)
where:
Base-Base interactions energy: -168.108
where: short stacking energy: -106.182
Base-Backbone interact. energy: 1.374
local terms energy: -161.617095
where:
bonds (distance) C4'-P energy: -42.469
bonds (distance) P-C4' energy: -40.366
flat angles C4'-P-C4' energy: -40.155
flat angles P-C4'-P energy: -33.596
tors. eta vs tors. theta energy: -5.030
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: 10
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -222.113559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.113559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.113559 (E_RNA)
where:
Base-Base interactions energy: -68.205
where: short stacking energy: -53.070
Base-Backbone interact. energy: -0.515
local terms energy: -153.393535
where:
bonds (distance) C4'-P energy: -45.992
bonds (distance) P-C4' energy: -49.335
flat angles C4'-P-C4' energy: -38.675
flat angles P-C4'-P energy: -24.544
tors. eta vs tors. theta energy: 5.154
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: 3
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -923.977055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.977055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.977055 (E_RNA)
where:
Base-Base interactions energy: -637.168
where: short stacking energy: -259.490
Base-Backbone interact. energy: 0.192
local terms energy: -287.001150
where:
bonds (distance) C4'-P energy: -58.711
bonds (distance) P-C4' energy: -52.681
flat angles C4'-P-C4' energy: -61.879
flat angles P-C4'-P energy: -44.212
tors. eta vs tors. theta energy: -69.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -866.366888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.366888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.366888 (E_RNA)
where:
Base-Base interactions energy: -605.976
where: short stacking energy: -259.606
Base-Backbone interact. energy: -1.792
local terms energy: -258.598753
where:
bonds (distance) C4'-P energy: -48.946
bonds (distance) P-C4' energy: -47.054
flat angles C4'-P-C4' energy: -58.912
flat angles P-C4'-P energy: -38.800
tors. eta vs tors. theta energy: -64.887
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: 3, replica: 5
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -835.940511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.940511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.940511 (E_RNA)
where:
Base-Base interactions energy: -577.030
where: short stacking energy: -245.594
Base-Backbone interact. energy: -1.357
local terms energy: -257.552968
where:
bonds (distance) C4'-P energy: -48.810
bonds (distance) P-C4' energy: -46.666
flat angles C4'-P-C4' energy: -57.272
flat angles P-C4'-P energy: -36.633
tors. eta vs tors. theta energy: -68.172
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: 4
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -823.961012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.961012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.961012 (E_RNA)
where:
Base-Base interactions energy: -590.151
where: short stacking energy: -255.498
Base-Backbone interact. energy: 0.204
local terms energy: -234.014909
where:
bonds (distance) C4'-P energy: -38.726
bonds (distance) P-C4' energy: -46.390
flat angles C4'-P-C4' energy: -54.108
flat angles P-C4'-P energy: -30.821
tors. eta vs tors. theta energy: -63.970
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: 5, replica: 6
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -767.426100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.426100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.426100 (E_RNA)
where:
Base-Base interactions energy: -526.104
where: short stacking energy: -230.451
Base-Backbone interact. energy: 0.178
local terms energy: -241.500103
where:
bonds (distance) C4'-P energy: -45.240
bonds (distance) P-C4' energy: -51.386
flat angles C4'-P-C4' energy: -55.227
flat angles P-C4'-P energy: -37.688
tors. eta vs tors. theta energy: -51.960
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: 8
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -632.110108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.110108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.110108 (E_RNA)
where:
Base-Base interactions energy: -419.624
where: short stacking energy: -200.165
Base-Backbone interact. energy: 1.150
local terms energy: -213.635841
where:
bonds (distance) C4'-P energy: -46.319
bonds (distance) P-C4' energy: -42.765
flat angles C4'-P-C4' energy: -46.488
flat angles P-C4'-P energy: -26.954
tors. eta vs tors. theta energy: -51.110
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: 7
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -553.495585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.495585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.495585 (E_RNA)
where:
Base-Base interactions energy: -336.767
where: short stacking energy: -153.598
Base-Backbone interact. energy: 0.837
local terms energy: -217.564869
where:
bonds (distance) C4'-P energy: -41.790
bonds (distance) P-C4' energy: -52.637
flat angles C4'-P-C4' energy: -55.954
flat angles P-C4'-P energy: -31.503
tors. eta vs tors. theta energy: -35.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -494.379143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.379143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.379143 (E_RNA)
where:
Base-Base interactions energy: -304.981
where: short stacking energy: -157.405
Base-Backbone interact. energy: -0.296
local terms energy: -189.102293
where:
bonds (distance) C4'-P energy: -55.676
bonds (distance) P-C4' energy: -31.740
flat angles C4'-P-C4' energy: -44.751
flat angles P-C4'-P energy: -22.034
tors. eta vs tors. theta energy: -34.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -311.162262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.162262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.162262 (E_RNA)
where:
Base-Base interactions energy: -144.745
where: short stacking energy: -98.992
Base-Backbone interact. energy: -1.276
local terms energy: -165.141005
where:
bonds (distance) C4'-P energy: -37.946
bonds (distance) P-C4' energy: -46.477
flat angles C4'-P-C4' energy: -38.056
flat angles P-C4'-P energy: -32.351
tors. eta vs tors. theta energy: -10.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -222.105568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.105568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.105568 (E_RNA)
where:
Base-Base interactions energy: -75.218
where: short stacking energy: -72.083
Base-Backbone interact. energy: -1.116
local terms energy: -145.771513
where:
bonds (distance) C4'-P energy: -47.615
bonds (distance) P-C4' energy: -44.617
flat angles C4'-P-C4' energy: -36.390
flat angles P-C4'-P energy: -19.779
tors. eta vs tors. theta energy: 2.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -920.919460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.919460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.919460 (E_RNA)
where:
Base-Base interactions energy: -650.909
where: short stacking energy: -271.451
Base-Backbone interact. energy: -1.407
local terms energy: -268.604303
where:
bonds (distance) C4'-P energy: -50.283
bonds (distance) P-C4' energy: -50.525
flat angles C4'-P-C4' energy: -59.142
flat angles P-C4'-P energy: -33.956
tors. eta vs tors. theta energy: -74.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -870.603231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.603231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.603231 (E_RNA)
where:
Base-Base interactions energy: -607.534
where: short stacking energy: -254.174
Base-Backbone interact. energy: -0.574
local terms energy: -262.495100
where:
bonds (distance) C4'-P energy: -49.168
bonds (distance) P-C4' energy: -52.238
flat angles C4'-P-C4' energy: -61.155
flat angles P-C4'-P energy: -30.674
tors. eta vs tors. theta energy: -69.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -862.965538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.965538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.965538 (E_RNA)
where:
Base-Base interactions energy: -605.975
where: short stacking energy: -245.541
Base-Backbone interact. energy: -3.344
local terms energy: -253.646979
where:
bonds (distance) C4'-P energy: -49.753
bonds (distance) P-C4' energy: -43.912
flat angles C4'-P-C4' energy: -63.242
flat angles P-C4'-P energy: -28.422
tors. eta vs tors. theta energy: -68.318
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: 4, replica: 4
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -830.734214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.734214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.734214 (E_RNA)
where:
Base-Base interactions energy: -579.136
where: short stacking energy: -246.627
Base-Backbone interact. energy: -0.839
local terms energy: -250.759700
where:
bonds (distance) C4'-P energy: -56.336
bonds (distance) P-C4' energy: -46.012
flat angles C4'-P-C4' energy: -45.602
flat angles P-C4'-P energy: -41.113
tors. eta vs tors. theta energy: -61.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -784.349373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.349373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.349373 (E_RNA)
where:
Base-Base interactions energy: -544.588
where: short stacking energy: -230.059
Base-Backbone interact. energy: -0.819
local terms energy: -238.941847
where:
bonds (distance) C4'-P energy: -53.375
bonds (distance) P-C4' energy: -41.829
flat angles C4'-P-C4' energy: -51.687
flat angles P-C4'-P energy: -31.764
tors. eta vs tors. theta energy: -60.287
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: 6, replica: 8
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -625.628990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.628990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.628990 (E_RNA)
where:
Base-Base interactions energy: -405.576
where: short stacking energy: -179.838
Base-Backbone interact. energy: 1.139
local terms energy: -221.191309
where:
bonds (distance) C4'-P energy: -43.888
bonds (distance) P-C4' energy: -44.892
flat angles C4'-P-C4' energy: -54.221
flat angles P-C4'-P energy: -32.844
tors. eta vs tors. theta energy: -45.346
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: 7
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -608.134795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.134795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.134795 (E_RNA)
where:
Base-Base interactions energy: -388.057
where: short stacking energy: -188.562
Base-Backbone interact. energy: -0.154
local terms energy: -219.923578
where:
bonds (distance) C4'-P energy: -46.777
bonds (distance) P-C4' energy: -41.948
flat angles C4'-P-C4' energy: -45.560
flat angles P-C4'-P energy: -40.877
tors. eta vs tors. theta energy: -44.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -493.035343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.035343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.035343 (E_RNA)
where:
Base-Base interactions energy: -282.316
where: short stacking energy: -145.096
Base-Backbone interact. energy: -0.177
local terms energy: -210.542855
where:
bonds (distance) C4'-P energy: -55.505
bonds (distance) P-C4' energy: -45.163
flat angles C4'-P-C4' energy: -41.574
flat angles P-C4'-P energy: -33.518
tors. eta vs tors. theta energy: -34.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -309.465871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.465871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.465871 (E_RNA)
where:
Base-Base interactions energy: -157.559
where: short stacking energy: -101.536
Base-Backbone interact. energy: -1.149
local terms energy: -150.757814
where:
bonds (distance) C4'-P energy: -41.747
bonds (distance) P-C4' energy: -43.806
flat angles C4'-P-C4' energy: -38.397
flat angles P-C4'-P energy: -16.398
tors. eta vs tors. theta energy: -10.410
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: 10, replica: 10
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -243.071113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.071113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.071113 (E_RNA)
where:
Base-Base interactions energy: -92.973
where: short stacking energy: -74.958
Base-Backbone interact. energy: -0.997
local terms energy: -149.101382
where:
bonds (distance) C4'-P energy: -40.827
bonds (distance) P-C4' energy: -38.799
flat angles C4'-P-C4' energy: -43.478
flat angles P-C4'-P energy: -21.880
tors. eta vs tors. theta energy: -4.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -922.674711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.674711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.674711 (E_RNA)
where:
Base-Base interactions energy: -642.380
where: short stacking energy: -273.369
Base-Backbone interact. energy: 0.436
local terms energy: -280.730067
where:
bonds (distance) C4'-P energy: -54.181
bonds (distance) P-C4' energy: -57.130
flat angles C4'-P-C4' energy: -54.237
flat angles P-C4'-P energy: -43.266
tors. eta vs tors. theta energy: -71.917
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: 2, replica: 5
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -867.342079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.342079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.342079 (E_RNA)
where:
Base-Base interactions energy: -594.220
where: short stacking energy: -257.453
Base-Backbone interact. energy: -1.944
local terms energy: -271.177632
where:
bonds (distance) C4'-P energy: -43.214
bonds (distance) P-C4' energy: -51.456
flat angles C4'-P-C4' energy: -63.675
flat angles P-C4'-P energy: -39.041
tors. eta vs tors. theta energy: -73.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -844.492879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.492879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.492879 (E_RNA)
where:
Base-Base interactions energy: -587.473
where: short stacking energy: -261.905
Base-Backbone interact. energy: -1.379
local terms energy: -255.641059
where:
bonds (distance) C4'-P energy: -44.040
bonds (distance) P-C4' energy: -56.083
flat angles C4'-P-C4' energy: -54.359
flat angles P-C4'-P energy: -35.111
tors. eta vs tors. theta energy: -66.049
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: 4
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -837.270315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.270315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.270315 (E_RNA)
where:
Base-Base interactions energy: -575.318
where: short stacking energy: -247.357
Base-Backbone interact. energy: -0.319
local terms energy: -261.633974
where:
bonds (distance) C4'-P energy: -46.763
bonds (distance) P-C4' energy: -57.124
flat angles C4'-P-C4' energy: -56.800
flat angles P-C4'-P energy: -32.346
tors. eta vs tors. theta energy: -68.602
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: 5, replica: 6
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -745.122827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.122827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.122827 (E_RNA)
where:
Base-Base interactions energy: -522.531
where: short stacking energy: -217.082
Base-Backbone interact. energy: -1.200
local terms energy: -221.391427
where:
bonds (distance) C4'-P energy: -32.476
bonds (distance) P-C4' energy: -46.466
flat angles C4'-P-C4' energy: -55.247
flat angles P-C4'-P energy: -34.056
tors. eta vs tors. theta energy: -53.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -684.153253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.153253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.153253 (E_RNA)
where:
Base-Base interactions energy: -442.343
where: short stacking energy: -204.000
Base-Backbone interact. energy: -0.860
local terms energy: -240.950501
where:
bonds (distance) C4'-P energy: -46.366
bonds (distance) P-C4' energy: -45.557
flat angles C4'-P-C4' energy: -49.053
flat angles P-C4'-P energy: -40.675
tors. eta vs tors. theta energy: -59.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -613.251702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.251702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.251702 (E_RNA)
where:
Base-Base interactions energy: -409.184
where: short stacking energy: -175.878
Base-Backbone interact. energy: -0.490
local terms energy: -203.577876
where:
bonds (distance) C4'-P energy: -45.963
bonds (distance) P-C4' energy: -30.593
flat angles C4'-P-C4' energy: -59.220
flat angles P-C4'-P energy: -23.263
tors. eta vs tors. theta energy: -44.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -480.127305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.127305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.127305 (E_RNA)
where:
Base-Base interactions energy: -285.529
where: short stacking energy: -139.983
Base-Backbone interact. energy: -1.717
local terms energy: -192.881107
where:
bonds (distance) C4'-P energy: -51.018
bonds (distance) P-C4' energy: -47.013
flat angles C4'-P-C4' energy: -36.603
flat angles P-C4'-P energy: -24.551
tors. eta vs tors. theta energy: -33.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -332.962893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.962893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.962893 (E_RNA)
where:
Base-Base interactions energy: -160.108
where: short stacking energy: -93.422
Base-Backbone interact. energy: -1.187
local terms energy: -171.668115
where:
bonds (distance) C4'-P energy: -39.444
bonds (distance) P-C4' energy: -45.103
flat angles C4'-P-C4' energy: -38.938
flat angles P-C4'-P energy: -36.866
tors. eta vs tors. theta energy: -11.317
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: 10
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -220.797303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.797303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.797303 (E_RNA)
where:
Base-Base interactions energy: -85.007
where: short stacking energy: -66.547
Base-Backbone interact. energy: -0.702
local terms energy: -135.088550
where:
bonds (distance) C4'-P energy: -43.472
bonds (distance) P-C4' energy: -40.190
flat angles C4'-P-C4' energy: -30.583
flat angles P-C4'-P energy: -23.440
tors. eta vs tors. theta energy: 2.596
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: 1, replica: 3
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -911.599153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.599153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.599153 (E_RNA)
where:
Base-Base interactions energy: -627.484
where: short stacking energy: -267.390
Base-Backbone interact. energy: -2.499
local terms energy: -281.616582
where:
bonds (distance) C4'-P energy: -53.330
bonds (distance) P-C4' energy: -52.306
flat angles C4'-P-C4' energy: -61.849
flat angles P-C4'-P energy: -42.740
tors. eta vs tors. theta energy: -71.392
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: 5
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -894.610862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.610862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.610862 (E_RNA)
where:
Base-Base interactions energy: -616.628
where: short stacking energy: -275.242
Base-Backbone interact. energy: -0.973
local terms energy: -277.010150
where:
bonds (distance) C4'-P energy: -48.425
bonds (distance) P-C4' energy: -52.983
flat angles C4'-P-C4' energy: -60.079
flat angles P-C4'-P energy: -40.582
tors. eta vs tors. theta energy: -74.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -871.665695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.665695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.665695 (E_RNA)
where:
Base-Base interactions energy: -606.919
where: short stacking energy: -248.175
Base-Backbone interact. energy: -1.391
local terms energy: -263.355248
where:
bonds (distance) C4'-P energy: -55.861
bonds (distance) P-C4' energy: -49.543
flat angles C4'-P-C4' energy: -55.048
flat angles P-C4'-P energy: -42.102
tors. eta vs tors. theta energy: -60.800
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: 4, replica: 4
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -844.813942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.813942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.813942 (E_RNA)
where:
Base-Base interactions energy: -583.334
where: short stacking energy: -260.427
Base-Backbone interact. energy: -1.236
local terms energy: -260.243920
where:
bonds (distance) C4'-P energy: -44.291
bonds (distance) P-C4' energy: -53.430
flat angles C4'-P-C4' energy: -59.006
flat angles P-C4'-P energy: -32.734
tors. eta vs tors. theta energy: -70.782
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: 6
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -718.924923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.924923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.924923 (E_RNA)
where:
Base-Base interactions energy: -487.353
where: short stacking energy: -205.202
Base-Backbone interact. energy: 1.403
local terms energy: -232.974842
where:
bonds (distance) C4'-P energy: -46.319
bonds (distance) P-C4' energy: -46.851
flat angles C4'-P-C4' energy: -59.098
flat angles P-C4'-P energy: -36.003
tors. eta vs tors. theta energy: -44.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -637.578291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.578291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.578291 (E_RNA)
where:
Base-Base interactions energy: -413.147
where: short stacking energy: -195.200
Base-Backbone interact. energy: -2.243
local terms energy: -222.187405
where:
bonds (distance) C4'-P energy: -51.662
bonds (distance) P-C4' energy: -37.441
flat angles C4'-P-C4' energy: -50.931
flat angles P-C4'-P energy: -34.870
tors. eta vs tors. theta energy: -47.283
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: 7
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -605.864917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.864917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.864917 (E_RNA)
where:
Base-Base interactions energy: -395.908
where: short stacking energy: -166.635
Base-Backbone interact. energy: 0.270
local terms energy: -210.227249
where:
bonds (distance) C4'-P energy: -38.142
bonds (distance) P-C4' energy: -52.471
flat angles C4'-P-C4' energy: -51.760
flat angles P-C4'-P energy: -28.729
tors. eta vs tors. theta energy: -39.126
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: 2
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -482.099229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.099229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.099229 (E_RNA)
where:
Base-Base interactions energy: -290.680
where: short stacking energy: -138.653
Base-Backbone interact. energy: -0.756
local terms energy: -190.663457
where:
bonds (distance) C4'-P energy: -49.872
bonds (distance) P-C4' energy: -47.803
flat angles C4'-P-C4' energy: -41.707
flat angles P-C4'-P energy: -22.366
tors. eta vs tors. theta energy: -28.916
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: 9
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -283.221871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.221871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.221871 (E_RNA)
where:
Base-Base interactions energy: -128.599
where: short stacking energy: -68.173
Base-Backbone interact. energy: -0.758
local terms energy: -153.864650
where:
bonds (distance) C4'-P energy: -43.192
bonds (distance) P-C4' energy: -51.262
flat angles C4'-P-C4' energy: -42.899
flat angles P-C4'-P energy: -19.516
tors. eta vs tors. theta energy: 3.004
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: 10
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -212.533978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.533978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.533978 (E_RNA)
where:
Base-Base interactions energy: -77.910
where: short stacking energy: -48.999
Base-Backbone interact. energy: -0.118
local terms energy: -134.505812
where:
bonds (distance) C4'-P energy: -50.838
bonds (distance) P-C4' energy: -38.159
flat angles C4'-P-C4' energy: -36.603
flat angles P-C4'-P energy: -24.636
tors. eta vs tors. theta energy: 15.731
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: 296
Temperature: 0.900000
Total energy: -908.591904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.591904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.591904 (E_RNA)
where:
Base-Base interactions energy: -630.875
where: short stacking energy: -281.934
Base-Backbone interact. energy: 1.066
local terms energy: -278.783050
where:
bonds (distance) C4'-P energy: -52.539
bonds (distance) P-C4' energy: -53.606
flat angles C4'-P-C4' energy: -56.467
flat angles P-C4'-P energy: -40.731
tors. eta vs tors. theta energy: -75.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -902.045797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.045797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.045797 (E_RNA)
where:
Base-Base interactions energy: -634.450
where: short stacking energy: -260.885
Base-Backbone interact. energy: -0.702
local terms energy: -266.894377
where:
bonds (distance) C4'-P energy: -53.228
bonds (distance) P-C4' energy: -52.261
flat angles C4'-P-C4' energy: -55.035
flat angles P-C4'-P energy: -37.563
tors. eta vs tors. theta energy: -68.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -864.973270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.973270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.973270 (E_RNA)
where:
Base-Base interactions energy: -614.663
where: short stacking energy: -248.519
Base-Backbone interact. energy: -0.655
local terms energy: -249.655228
where:
bonds (distance) C4'-P energy: -46.306
bonds (distance) P-C4' energy: -51.372
flat angles C4'-P-C4' energy: -55.401
flat angles P-C4'-P energy: -37.283
tors. eta vs tors. theta energy: -59.293
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: 4
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -832.017105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.017105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.017105 (E_RNA)
where:
Base-Base interactions energy: -568.249
where: short stacking energy: -216.248
Base-Backbone interact. energy: -3.287
local terms energy: -260.480356
where:
bonds (distance) C4'-P energy: -49.525
bonds (distance) P-C4' energy: -44.366
flat angles C4'-P-C4' energy: -62.433
flat angles P-C4'-P energy: -39.897
tors. eta vs tors. theta energy: -64.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -729.501639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.501639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.501639 (E_RNA)
where:
Base-Base interactions energy: -492.677
where: short stacking energy: -212.429
Base-Backbone interact. energy: -0.641
local terms energy: -236.183859
where:
bonds (distance) C4'-P energy: -48.236
bonds (distance) P-C4' energy: -43.668
flat angles C4'-P-C4' energy: -54.800
flat angles P-C4'-P energy: -41.196
tors. eta vs tors. theta energy: -48.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -652.324120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.324120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.324120 (E_RNA)
where:
Base-Base interactions energy: -426.866
where: short stacking energy: -195.967
Base-Backbone interact. energy: -1.308
local terms energy: -224.149731
where:
bonds (distance) C4'-P energy: -43.004
bonds (distance) P-C4' energy: -42.475
flat angles C4'-P-C4' energy: -53.869
flat angles P-C4'-P energy: -30.426
tors. eta vs tors. theta energy: -54.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -601.607566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.607566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.607566 (E_RNA)
where:
Base-Base interactions energy: -382.927
where: short stacking energy: -156.988
Base-Backbone interact. energy: -2.772
local terms energy: -215.908736
where:
bonds (distance) C4'-P energy: -49.312
bonds (distance) P-C4' energy: -43.647
flat angles C4'-P-C4' energy: -51.534
flat angles P-C4'-P energy: -34.838
tors. eta vs tors. theta energy: -36.577
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: 8, replica: 2
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -478.228436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.228436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.228436 (E_RNA)
where:
Base-Base interactions energy: -288.554
where: short stacking energy: -141.044
Base-Backbone interact. energy: -2.125
local terms energy: -187.549845
where:
bonds (distance) C4'-P energy: -43.787
bonds (distance) P-C4' energy: -39.789
flat angles C4'-P-C4' energy: -44.309
flat angles P-C4'-P energy: -29.373
tors. eta vs tors. theta energy: -30.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -338.963284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.963284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.963284 (E_RNA)
where:
Base-Base interactions energy: -181.245
where: short stacking energy: -102.880
Base-Backbone interact. energy: 0.214
local terms energy: -157.931911
where:
bonds (distance) C4'-P energy: -43.765
bonds (distance) P-C4' energy: -46.533
flat angles C4'-P-C4' energy: -37.410
flat angles P-C4'-P energy: -24.696
tors. eta vs tors. theta energy: -5.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -237.760413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.760413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.760413 (E_RNA)
where:
Base-Base interactions energy: -84.121
where: short stacking energy: -74.280
Base-Backbone interact. energy: 0.942
local terms energy: -154.581571
where:
bonds (distance) C4'-P energy: -46.147
bonds (distance) P-C4' energy: -49.063
flat angles C4'-P-C4' energy: -43.925
flat angles P-C4'-P energy: -30.330
tors. eta vs tors. theta energy: 14.884
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: 5
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -903.151756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.151756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.151756 (E_RNA)
where:
Base-Base interactions energy: -619.023
where: short stacking energy: -272.830
Base-Backbone interact. energy: -1.659
local terms energy: -282.469811
where:
bonds (distance) C4'-P energy: -55.430
bonds (distance) P-C4' energy: -52.612
flat angles C4'-P-C4' energy: -51.777
flat angles P-C4'-P energy: -45.922
tors. eta vs tors. theta energy: -76.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -919.342862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.342862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.342862 (E_RNA)
where:
Base-Base interactions energy: -648.061
where: short stacking energy: -261.817
Base-Backbone interact. energy: -0.351
local terms energy: -270.931178
where:
bonds (distance) C4'-P energy: -48.057
bonds (distance) P-C4' energy: -60.507
flat angles C4'-P-C4' energy: -61.079
flat angles P-C4'-P energy: -30.502
tors. eta vs tors. theta energy: -70.786
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: 1
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -874.326197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.326197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.326197 (E_RNA)
where:
Base-Base interactions energy: -614.138
where: short stacking energy: -251.703
Base-Backbone interact. energy: -1.271
local terms energy: -258.917086
where:
bonds (distance) C4'-P energy: -51.707
bonds (distance) P-C4' energy: -51.486
flat angles C4'-P-C4' energy: -59.016
flat angles P-C4'-P energy: -34.897
tors. eta vs tors. theta energy: -61.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -771.366893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.366893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.366893 (E_RNA)
where:
Base-Base interactions energy: -513.382
where: short stacking energy: -228.374
Base-Backbone interact. energy: -1.698
local terms energy: -256.286199
where:
bonds (distance) C4'-P energy: -46.025
bonds (distance) P-C4' energy: -53.051
flat angles C4'-P-C4' energy: -59.733
flat angles P-C4'-P energy: -42.432
tors. eta vs tors. theta energy: -55.046
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: 5, replica: 4
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -801.647068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.647068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.647068 (E_RNA)
where:
Base-Base interactions energy: -572.905
where: short stacking energy: -245.058
Base-Backbone interact. energy: -0.589
local terms energy: -228.153603
where:
bonds (distance) C4'-P energy: -34.412
bonds (distance) P-C4' energy: -47.308
flat angles C4'-P-C4' energy: -50.517
flat angles P-C4'-P energy: -34.089
tors. eta vs tors. theta energy: -61.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -644.632844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.632844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.632844 (E_RNA)
where:
Base-Base interactions energy: -403.208
where: short stacking energy: -197.384
Base-Backbone interact. energy: -0.460
local terms energy: -240.964355
where:
bonds (distance) C4'-P energy: -52.455
bonds (distance) P-C4' energy: -53.512
flat angles C4'-P-C4' energy: -42.961
flat angles P-C4'-P energy: -37.632
tors. eta vs tors. theta energy: -54.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -594.432868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.432868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.432868 (E_RNA)
where:
Base-Base interactions energy: -381.081
where: short stacking energy: -170.485
Base-Backbone interact. energy: -0.195
local terms energy: -213.156926
where:
bonds (distance) C4'-P energy: -52.401
bonds (distance) P-C4' energy: -42.067
flat angles C4'-P-C4' energy: -48.778
flat angles P-C4'-P energy: -28.381
tors. eta vs tors. theta energy: -41.530
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: 2
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -505.411303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.411303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.411303 (E_RNA)
where:
Base-Base interactions energy: -300.607
where: short stacking energy: -148.576
Base-Backbone interact. energy: 0.755
local terms energy: -205.558360
where:
bonds (distance) C4'-P energy: -40.433
bonds (distance) P-C4' energy: -49.608
flat angles C4'-P-C4' energy: -49.417
flat angles P-C4'-P energy: -29.024
tors. eta vs tors. theta energy: -37.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -307.342644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.342644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.342644 (E_RNA)
where:
Base-Base interactions energy: -162.326
where: short stacking energy: -83.318
Base-Backbone interact. energy: -2.525
local terms energy: -142.491754
where:
bonds (distance) C4'-P energy: -42.895
bonds (distance) P-C4' energy: -40.020
flat angles C4'-P-C4' energy: -30.142
flat angles P-C4'-P energy: -26.257
tors. eta vs tors. theta energy: -3.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -222.137127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.137127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.137127 (E_RNA)
where:
Base-Base interactions energy: -75.204
where: short stacking energy: -61.476
Base-Backbone interact. energy: 0.692
local terms energy: -147.624952
where:
bonds (distance) C4'-P energy: -38.898
bonds (distance) P-C4' energy: -40.493
flat angles C4'-P-C4' energy: -45.388
flat angles P-C4'-P energy: -20.107
tors. eta vs tors. theta energy: -2.739
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: 1, replica: 3
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -931.976446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.976446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.976446 (E_RNA)
where:
Base-Base interactions energy: -644.907
where: short stacking energy: -263.905
Base-Backbone interact. energy: -2.259
local terms energy: -284.810917
where:
bonds (distance) C4'-P energy: -51.615
bonds (distance) P-C4' energy: -59.754
flat angles C4'-P-C4' energy: -63.189
flat angles P-C4'-P energy: -42.660
tors. eta vs tors. theta energy: -67.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -890.669287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.669287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.669287 (E_RNA)
where:
Base-Base interactions energy: -610.963
where: short stacking energy: -276.172
Base-Backbone interact. energy: 0.571
local terms energy: -280.277919
where:
bonds (distance) C4'-P energy: -45.160
bonds (distance) P-C4' energy: -57.165
flat angles C4'-P-C4' energy: -57.571
flat angles P-C4'-P energy: -44.139
tors. eta vs tors. theta energy: -76.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -815.402438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.402438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.402438 (E_RNA)
where:
Base-Base interactions energy: -556.900
where: short stacking energy: -233.295
Base-Backbone interact. energy: 4.076
local terms energy: -262.577922
where:
bonds (distance) C4'-P energy: -54.131
bonds (distance) P-C4' energy: -58.497
flat angles C4'-P-C4' energy: -48.584
flat angles P-C4'-P energy: -40.454
tors. eta vs tors. theta energy: -60.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -747.716965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.716965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.716965 (E_RNA)
where:
Base-Base interactions energy: -501.709
where: short stacking energy: -224.602
Base-Backbone interact. energy: -0.315
local terms energy: -245.692673
where:
bonds (distance) C4'-P energy: -50.738
bonds (distance) P-C4' energy: -54.368
flat angles C4'-P-C4' energy: -52.991
flat angles P-C4'-P energy: -38.045
tors. eta vs tors. theta energy: -49.550
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: 298
Temperature: 1.100000
Total energy: -780.931160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.931160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.931160 (E_RNA)
where:
Base-Base interactions energy: -526.900
where: short stacking energy: -215.501
Base-Backbone interact. energy: -1.124
local terms energy: -252.907592
where:
bonds (distance) C4'-P energy: -50.987
bonds (distance) P-C4' energy: -55.956
flat angles C4'-P-C4' energy: -51.244
flat angles P-C4'-P energy: -38.040
tors. eta vs tors. theta energy: -56.680
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: 8
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -644.314845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.314845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.314845 (E_RNA)
where:
Base-Base interactions energy: -422.066
where: short stacking energy: -192.692
Base-Backbone interact. energy: -1.344
local terms energy: -220.904678
where:
bonds (distance) C4'-P energy: -46.817
bonds (distance) P-C4' energy: -38.562
flat angles C4'-P-C4' energy: -44.691
flat angles P-C4'-P energy: -37.173
tors. eta vs tors. theta energy: -53.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -511.457423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.457423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.457423 (E_RNA)
where:
Base-Base interactions energy: -294.017
where: short stacking energy: -139.308
Base-Backbone interact. energy: 0.557
local terms energy: -217.997321
where:
bonds (distance) C4'-P energy: -48.566
bonds (distance) P-C4' energy: -54.143
flat angles C4'-P-C4' energy: -41.628
flat angles P-C4'-P energy: -37.977
tors. eta vs tors. theta energy: -35.683
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: 7
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -565.448447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.448447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.448447 (E_RNA)
where:
Base-Base interactions energy: -381.357
where: short stacking energy: -179.727
Base-Backbone interact. energy: -1.238
local terms energy: -182.852910
where:
bonds (distance) C4'-P energy: -36.856
bonds (distance) P-C4' energy: -43.089
flat angles C4'-P-C4' energy: -38.900
flat angles P-C4'-P energy: -28.577
tors. eta vs tors. theta energy: -35.430
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: 9
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -325.210835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.210835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.210835 (E_RNA)
where:
Base-Base interactions energy: -143.411
where: short stacking energy: -90.963
Base-Backbone interact. energy: -1.123
local terms energy: -180.676220
where:
bonds (distance) C4'-P energy: -50.879
bonds (distance) P-C4' energy: -49.777
flat angles C4'-P-C4' energy: -44.885
flat angles P-C4'-P energy: -26.038
tors. eta vs tors. theta energy: -9.097
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: 10
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -239.624257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.624257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.624257 (E_RNA)
where:
Base-Base interactions energy: -81.531
where: short stacking energy: -61.679
Base-Backbone interact. energy: 1.180
local terms energy: -159.273915
where:
bonds (distance) C4'-P energy: -38.605
bonds (distance) P-C4' energy: -45.940
flat angles C4'-P-C4' energy: -45.490
flat angles P-C4'-P energy: -29.792
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: 3
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -920.734003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.734003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.734003 (E_RNA)
where:
Base-Base interactions energy: -649.644
where: short stacking energy: -266.672
Base-Backbone interact. energy: 0.695
local terms energy: -271.785007
where:
bonds (distance) C4'-P energy: -53.619
bonds (distance) P-C4' energy: -49.120
flat angles C4'-P-C4' energy: -59.117
flat angles P-C4'-P energy: -37.854
tors. eta vs tors. theta energy: -72.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -904.723779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.723779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.723779 (E_RNA)
where:
Base-Base interactions energy: -626.210
where: short stacking energy: -275.679
Base-Backbone interact. energy: -0.663
local terms energy: -277.850660
where:
bonds (distance) C4'-P energy: -42.070
bonds (distance) P-C4' energy: -57.277
flat angles C4'-P-C4' energy: -58.690
flat angles P-C4'-P energy: -42.595
tors. eta vs tors. theta energy: -77.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -836.569028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.569028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.569028 (E_RNA)
where:
Base-Base interactions energy: -568.920
where: short stacking energy: -249.692
Base-Backbone interact. energy: -0.498
local terms energy: -267.150592
where:
bonds (distance) C4'-P energy: -53.183
bonds (distance) P-C4' energy: -48.786
flat angles C4'-P-C4' energy: -59.908
flat angles P-C4'-P energy: -37.044
tors. eta vs tors. theta energy: -68.230
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: 4
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -839.017383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.017383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.017383 (E_RNA)
where:
Base-Base interactions energy: -594.178
where: short stacking energy: -222.534
Base-Backbone interact. energy: -0.018
local terms energy: -244.820921
where:
bonds (distance) C4'-P energy: -37.165
bonds (distance) P-C4' energy: -44.456
flat angles C4'-P-C4' energy: -52.535
flat angles P-C4'-P energy: -40.221
tors. eta vs tors. theta energy: -70.444
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: 299
Temperature: 1.100000
Total energy: -733.861158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.861158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.861158 (E_RNA)
where:
Base-Base interactions energy: -501.059
where: short stacking energy: -213.986
Base-Backbone interact. energy: -0.925
local terms energy: -231.877435
where:
bonds (distance) C4'-P energy: -44.342
bonds (distance) P-C4' energy: -51.428
flat angles C4'-P-C4' energy: -51.536
flat angles P-C4'-P energy: -33.670
tors. eta vs tors. theta energy: -50.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -637.165420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.165420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.165420 (E_RNA)
where:
Base-Base interactions energy: -413.547
where: short stacking energy: -184.796
Base-Backbone interact. energy: -0.349
local terms energy: -223.269844
where:
bonds (distance) C4'-P energy: -43.461
bonds (distance) P-C4' energy: -48.312
flat angles C4'-P-C4' energy: -51.367
flat angles P-C4'-P energy: -35.618
tors. eta vs tors. theta energy: -44.512
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: 2
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -498.927320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.927320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.927320 (E_RNA)
where:
Base-Base interactions energy: -292.888
where: short stacking energy: -147.406
Base-Backbone interact. energy: 0.701
local terms energy: -206.740739
where:
bonds (distance) C4'-P energy: -47.150
bonds (distance) P-C4' energy: -52.613
flat angles C4'-P-C4' energy: -45.354
flat angles P-C4'-P energy: -28.563
tors. eta vs tors. theta energy: -33.059
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: 8, replica: 7
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -564.333983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.333983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.333983 (E_RNA)
where:
Base-Base interactions energy: -376.519
where: short stacking energy: -173.270
Base-Backbone interact. energy: 0.727
local terms energy: -188.542760
where:
bonds (distance) C4'-P energy: -43.997
bonds (distance) P-C4' energy: -49.921
flat angles C4'-P-C4' energy: -31.414
flat angles P-C4'-P energy: -25.600
tors. eta vs tors. theta energy: -37.610
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: 9
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -295.500570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.500570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.500570 (E_RNA)
where:
Base-Base interactions energy: -148.779
where: short stacking energy: -94.940
Base-Backbone interact. energy: -1.373
local terms energy: -145.348532
where:
bonds (distance) C4'-P energy: -47.014
bonds (distance) P-C4' energy: -43.781
flat angles C4'-P-C4' energy: -37.727
flat angles P-C4'-P energy: -18.068
tors. eta vs tors. theta energy: 1.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -225.356589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.356589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.356589 (E_RNA)
where:
Base-Base interactions energy: -84.402
where: short stacking energy: -68.860
Base-Backbone interact. energy: -1.664
local terms energy: -139.290542
where:
bonds (distance) C4'-P energy: -36.218
bonds (distance) P-C4' energy: -42.255
flat angles C4'-P-C4' energy: -41.279
flat angles P-C4'-P energy: -24.902
tors. eta vs tors. theta energy: 5.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -923.960830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.960830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.960830 (E_RNA)
where:
Base-Base interactions energy: -641.526
where: short stacking energy: -279.052
Base-Backbone interact. energy: -0.394
local terms energy: -282.041418
where:
bonds (distance) C4'-P energy: -50.711
bonds (distance) P-C4' energy: -54.540
flat angles C4'-P-C4' energy: -60.698
flat angles P-C4'-P energy: -41.509
tors. eta vs tors. theta energy: -74.584
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: 3
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -915.500846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.500846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.500846 (E_RNA)
where:
Base-Base interactions energy: -641.493
where: short stacking energy: -264.372
Base-Backbone interact. energy: -2.397
local terms energy: -271.610710
where:
bonds (distance) C4'-P energy: -52.764
bonds (distance) P-C4' energy: -50.452
flat angles C4'-P-C4' energy: -59.091
flat angles P-C4'-P energy: -39.888
tors. eta vs tors. theta energy: -69.416
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: 4
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -885.658563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.658563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.658563 (E_RNA)
where:
Base-Base interactions energy: -615.286
where: short stacking energy: -250.687
Base-Backbone interact. energy: -1.008
local terms energy: -269.364165
where:
bonds (distance) C4'-P energy: -51.356
bonds (distance) P-C4' energy: -55.088
flat angles C4'-P-C4' energy: -59.656
flat angles P-C4'-P energy: -37.294
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: 4, replica: 1
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -825.860410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.860410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.860410 (E_RNA)
where:
Base-Base interactions energy: -566.799
where: short stacking energy: -242.692
Base-Backbone interact. energy: -3.506
local terms energy: -255.554643
where:
bonds (distance) C4'-P energy: -49.967
bonds (distance) P-C4' energy: -43.535
flat angles C4'-P-C4' energy: -52.699
flat angles P-C4'-P energy: -35.242
tors. eta vs tors. theta energy: -74.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -758.451141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.451141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.451141 (E_RNA)
where:
Base-Base interactions energy: -512.177
where: short stacking energy: -231.832
Base-Backbone interact. energy: -0.009
local terms energy: -246.265043
where:
bonds (distance) C4'-P energy: -46.508
bonds (distance) P-C4' energy: -52.132
flat angles C4'-P-C4' energy: -47.201
flat angles P-C4'-P energy: -41.875
tors. eta vs tors. theta energy: -58.549
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: 8
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -675.482523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.482523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.482523 (E_RNA)
where:
Base-Base interactions energy: -429.427
where: short stacking energy: -212.175
Base-Backbone interact. energy: 0.133
local terms energy: -246.188184
where:
bonds (distance) C4'-P energy: -56.993
bonds (distance) P-C4' energy: -51.388
flat angles C4'-P-C4' energy: -51.332
flat angles P-C4'-P energy: -33.242
tors. eta vs tors. theta energy: -53.234
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: 7, replica: 7
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -621.356692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.356692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.356692 (E_RNA)
where:
Base-Base interactions energy: -400.477
where: short stacking energy: -178.349
Base-Backbone interact. energy: -0.516
local terms energy: -220.363289
where:
bonds (distance) C4'-P energy: -51.975
bonds (distance) P-C4' energy: -39.766
flat angles C4'-P-C4' energy: -46.782
flat angles P-C4'-P energy: -32.873
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: 8, replica: 2
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -492.871188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.871188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.871188 (E_RNA)
where:
Base-Base interactions energy: -302.175
where: short stacking energy: -139.909
Base-Backbone interact. energy: -0.411
local terms energy: -190.285354
where:
bonds (distance) C4'-P energy: -43.439
bonds (distance) P-C4' energy: -49.484
flat angles C4'-P-C4' energy: -48.335
flat angles P-C4'-P energy: -23.849
tors. eta vs tors. theta energy: -25.178
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: 9
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -285.653122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.653122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.653122 (E_RNA)
where:
Base-Base interactions energy: -135.924
where: short stacking energy: -93.241
Base-Backbone interact. energy: -0.378
local terms energy: -149.351532
where:
bonds (distance) C4'-P energy: -44.735
bonds (distance) P-C4' energy: -45.562
flat angles C4'-P-C4' energy: -42.294
flat angles P-C4'-P energy: -15.725
tors. eta vs tors. theta energy: -1.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -203.426448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.426448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.426448 (E_RNA)
where:
Base-Base interactions energy: -79.670
where: short stacking energy: -58.636
Base-Backbone interact. energy: 2.189
local terms energy: -125.945660
where:
bonds (distance) C4'-P energy: -39.180
bonds (distance) P-C4' energy: -51.846
flat angles C4'-P-C4' energy: -32.819
flat angles P-C4'-P energy: -19.764
tors. eta vs tors. theta energy: 17.663
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: 5
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -911.692700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.692700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.692700 (E_RNA)
where:
Base-Base interactions energy: -640.916
where: short stacking energy: -286.534
Base-Backbone interact. energy: 2.606
local terms energy: -273.383134
where:
bonds (distance) C4'-P energy: -51.377
bonds (distance) P-C4' energy: -40.833
flat angles C4'-P-C4' energy: -61.605
flat angles P-C4'-P energy: -41.490
tors. eta vs tors. theta energy: -78.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -889.281297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.281297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.281297 (E_RNA)
where:
Base-Base interactions energy: -618.382
where: short stacking energy: -256.004
Base-Backbone interact. energy: -1.581
local terms energy: -269.318282
where:
bonds (distance) C4'-P energy: -48.793
bonds (distance) P-C4' energy: -52.199
flat angles C4'-P-C4' energy: -64.931
flat angles P-C4'-P energy: -30.897
tors. eta vs tors. theta energy: -72.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -847.651611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.651611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.651611 (E_RNA)
where:
Base-Base interactions energy: -566.416
where: short stacking energy: -243.442
Base-Backbone interact. energy: 3.990
local terms energy: -285.225748
where:
bonds (distance) C4'-P energy: -55.579
bonds (distance) P-C4' energy: -50.126
flat angles C4'-P-C4' energy: -62.204
flat angles P-C4'-P energy: -45.437
tors. eta vs tors. theta energy: -71.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -842.570431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.570431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.570431 (E_RNA)
where:
Base-Base interactions energy: -570.341
where: short stacking energy: -253.841
Base-Backbone interact. energy: -2.347
local terms energy: -269.883040
where:
bonds (distance) C4'-P energy: -53.122
bonds (distance) P-C4' energy: -59.638
flat angles C4'-P-C4' energy: -53.177
flat angles P-C4'-P energy: -35.353
tors. eta vs tors. theta energy: -68.594
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: 5, replica: 6
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -769.265403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.265403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.265403 (E_RNA)
where:
Base-Base interactions energy: -530.927
where: short stacking energy: -211.205
Base-Backbone interact. energy: 0.912
local terms energy: -239.250180
where:
bonds (distance) C4'-P energy: -42.791
bonds (distance) P-C4' energy: -53.403
flat angles C4'-P-C4' energy: -46.335
flat angles P-C4'-P energy: -32.929
tors. eta vs tors. theta energy: -63.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -649.936786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.936786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.936786 (E_RNA)
where:
Base-Base interactions energy: -429.504
where: short stacking energy: -181.213
Base-Backbone interact. energy: 0.423
local terms energy: -220.855368
where:
bonds (distance) C4'-P energy: -51.604
bonds (distance) P-C4' energy: -48.070
flat angles C4'-P-C4' energy: -47.515
flat angles P-C4'-P energy: -28.811
tors. eta vs tors. theta energy: -44.855
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: 7
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -678.835725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.835725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.835725 (E_RNA)
where:
Base-Base interactions energy: -454.151
where: short stacking energy: -195.475
Base-Backbone interact. energy: 1.767
local terms energy: -226.451898
where:
bonds (distance) C4'-P energy: -53.096
bonds (distance) P-C4' energy: -45.269
flat angles C4'-P-C4' energy: -47.888
flat angles P-C4'-P energy: -32.250
tors. eta vs tors. theta energy: -47.949
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: 2
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -468.716414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.716414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.716414 (E_RNA)
where:
Base-Base interactions energy: -289.097
where: short stacking energy: -136.610
Base-Backbone interact. energy: 2.505
local terms energy: -182.124728
where:
bonds (distance) C4'-P energy: -46.731
bonds (distance) P-C4' energy: -48.581
flat angles C4'-P-C4' energy: -40.444
flat angles P-C4'-P energy: -20.039
tors. eta vs tors. theta energy: -26.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -308.099204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.099204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.099204 (E_RNA)
where:
Base-Base interactions energy: -137.860
where: short stacking energy: -94.884
Base-Backbone interact. energy: -1.192
local terms energy: -169.047622
where:
bonds (distance) C4'-P energy: -46.803
bonds (distance) P-C4' energy: -46.612
flat angles C4'-P-C4' energy: -48.759
flat angles P-C4'-P energy: -18.975
tors. eta vs tors. theta energy: -7.899
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: 10
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -236.528067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.528067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.528067 (E_RNA)
where:
Base-Base interactions energy: -113.506
where: short stacking energy: -78.616
Base-Backbone interact. energy: 0.340
local terms energy: -123.362281
where:
bonds (distance) C4'-P energy: -33.366
bonds (distance) P-C4' energy: -39.147
flat angles C4'-P-C4' energy: -50.558
flat angles P-C4'-P energy: -7.997
tors. eta vs tors. theta energy: 7.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -906.217536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.217536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.217536 (E_RNA)
where:
Base-Base interactions energy: -621.209
where: short stacking energy: -267.547
Base-Backbone interact. energy: -0.707
local terms energy: -284.300826
where:
bonds (distance) C4'-P energy: -55.395
bonds (distance) P-C4' energy: -58.470
flat angles C4'-P-C4' energy: -60.327
flat angles P-C4'-P energy: -33.860
tors. eta vs tors. theta energy: -76.249
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: 5
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -889.008784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.008784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.008784 (E_RNA)
where:
Base-Base interactions energy: -612.985
where: short stacking energy: -262.447
Base-Backbone interact. energy: -2.613
local terms energy: -273.411073
where:
bonds (distance) C4'-P energy: -53.014
bonds (distance) P-C4' energy: -48.069
flat angles C4'-P-C4' energy: -54.637
flat angles P-C4'-P energy: -42.246
tors. eta vs tors. theta energy: -75.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -834.782862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.782862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.782862 (E_RNA)
where:
Base-Base interactions energy: -570.142
where: short stacking energy: -255.572
Base-Backbone interact. energy: -2.037
local terms energy: -262.604276
where:
bonds (distance) C4'-P energy: -54.160
bonds (distance) P-C4' energy: -44.663
flat angles C4'-P-C4' energy: -53.474
flat angles P-C4'-P energy: -38.326
tors. eta vs tors. theta energy: -71.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -833.025910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.025910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.025910 (E_RNA)
where:
Base-Base interactions energy: -585.806
where: short stacking energy: -243.893
Base-Backbone interact. energy: -0.437
local terms energy: -246.782490
where:
bonds (distance) C4'-P energy: -40.113
bonds (distance) P-C4' energy: -49.631
flat angles C4'-P-C4' energy: -49.622
flat angles P-C4'-P energy: -37.289
tors. eta vs tors. theta energy: -70.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -747.124885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.124885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.124885 (E_RNA)
where:
Base-Base interactions energy: -499.199
where: short stacking energy: -213.050
Base-Backbone interact. energy: -1.175
local terms energy: -246.750896
where:
bonds (distance) C4'-P energy: -49.537
bonds (distance) P-C4' energy: -52.126
flat angles C4'-P-C4' energy: -51.710
flat angles P-C4'-P energy: -39.929
tors. eta vs tors. theta energy: -53.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -664.695480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.695480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.695480 (E_RNA)
where:
Base-Base interactions energy: -432.226
where: short stacking energy: -198.287
Base-Backbone interact. energy: -0.249
local terms energy: -232.220056
where:
bonds (distance) C4'-P energy: -45.332
bonds (distance) P-C4' energy: -46.398
flat angles C4'-P-C4' energy: -59.680
flat angles P-C4'-P energy: -31.546
tors. eta vs tors. theta energy: -49.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -674.092059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.092059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.092059 (E_RNA)
where:
Base-Base interactions energy: -465.360
where: short stacking energy: -208.589
Base-Backbone interact. energy: -0.280
local terms energy: -208.452394
where:
bonds (distance) C4'-P energy: -42.538
bonds (distance) P-C4' energy: -47.343
flat angles C4'-P-C4' energy: -50.537
flat angles P-C4'-P energy: -27.757
tors. eta vs tors. theta energy: -40.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -475.156503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.156503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.156503 (E_RNA)
where:
Base-Base interactions energy: -302.885
where: short stacking energy: -148.629
Base-Backbone interact. energy: -0.870
local terms energy: -171.401221
where:
bonds (distance) C4'-P energy: -38.954
bonds (distance) P-C4' energy: -46.761
flat angles C4'-P-C4' energy: -33.127
flat angles P-C4'-P energy: -22.453
tors. eta vs tors. theta energy: -30.106
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: 9
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -308.236439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.236439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.236439 (E_RNA)
where:
Base-Base interactions energy: -155.868
where: short stacking energy: -117.016
Base-Backbone interact. energy: 2.164
local terms energy: -154.533146
where:
bonds (distance) C4'-P energy: -45.443
bonds (distance) P-C4' energy: -40.377
flat angles C4'-P-C4' energy: -42.743
flat angles P-C4'-P energy: -20.199
tors. eta vs tors. theta energy: -5.771
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: 10
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -268.776170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.776170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.776170 (E_RNA)
where:
Base-Base interactions energy: -118.303
where: short stacking energy: -63.197
Base-Backbone interact. energy: 1.260
local terms energy: -151.733064
where:
bonds (distance) C4'-P energy: -35.121
bonds (distance) P-C4' energy: -49.686
flat angles C4'-P-C4' energy: -44.407
flat angles P-C4'-P energy: -34.214
tors. eta vs tors. theta energy: 11.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -904.821438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.821438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.821438 (E_RNA)
where:
Base-Base interactions energy: -628.098
where: short stacking energy: -267.796
Base-Backbone interact. energy: -1.674
local terms energy: -275.050138
where:
bonds (distance) C4'-P energy: -58.204
bonds (distance) P-C4' energy: -49.676
flat angles C4'-P-C4' energy: -52.843
flat angles P-C4'-P energy: -44.289
tors. eta vs tors. theta energy: -70.038
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: 2, replica: 5
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -882.218049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.218049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.218049 (E_RNA)
where:
Base-Base interactions energy: -588.457
where: short stacking energy: -276.601
Base-Backbone interact. energy: -1.931
local terms energy: -291.830199
where:
bonds (distance) C4'-P energy: -56.574
bonds (distance) P-C4' energy: -55.887
flat angles C4'-P-C4' energy: -58.205
flat angles P-C4'-P energy: -39.353
tors. eta vs tors. theta energy: -81.811
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: 3, replica: 1
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -838.481658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.481658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.481658 (E_RNA)
where:
Base-Base interactions energy: -583.483
where: short stacking energy: -252.289
Base-Backbone interact. energy: 0.922
local terms energy: -255.920634
where:
bonds (distance) C4'-P energy: -53.544
bonds (distance) P-C4' energy: -47.204
flat angles C4'-P-C4' energy: -48.146
flat angles P-C4'-P energy: -44.078
tors. eta vs tors. theta energy: -62.949
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: 4
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -837.964174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.964174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.964174 (E_RNA)
where:
Base-Base interactions energy: -578.842
where: short stacking energy: -252.992
Base-Backbone interact. energy: -0.167
local terms energy: -258.955392
where:
bonds (distance) C4'-P energy: -46.920
bonds (distance) P-C4' energy: -45.362
flat angles C4'-P-C4' energy: -56.939
flat angles P-C4'-P energy: -37.946
tors. eta vs tors. theta energy: -71.788
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: 303
Temperature: 1.100000
Total energy: -749.169951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.169951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.169951 (E_RNA)
where:
Base-Base interactions energy: -514.158
where: short stacking energy: -216.902
Base-Backbone interact. energy: 0.396
local terms energy: -235.408325
where:
bonds (distance) C4'-P energy: -43.384
bonds (distance) P-C4' energy: -45.699
flat angles C4'-P-C4' energy: -51.521
flat angles P-C4'-P energy: -37.317
tors. eta vs tors. theta energy: -57.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -701.000973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.000973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.000973 (E_RNA)
where:
Base-Base interactions energy: -464.171
where: short stacking energy: -189.953
Base-Backbone interact. energy: -1.533
local terms energy: -235.296945
where:
bonds (distance) C4'-P energy: -48.049
bonds (distance) P-C4' energy: -54.661
flat angles C4'-P-C4' energy: -48.974
flat angles P-C4'-P energy: -36.873
tors. eta vs tors. theta energy: -46.740
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: 7, replica: 8
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -621.642970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.642970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.642970 (E_RNA)
where:
Base-Base interactions energy: -404.724
where: short stacking energy: -178.145
Base-Backbone interact. energy: -0.282
local terms energy: -216.636416
where:
bonds (distance) C4'-P energy: -39.323
bonds (distance) P-C4' energy: -54.804
flat angles C4'-P-C4' energy: -50.498
flat angles P-C4'-P energy: -32.474
tors. eta vs tors. theta energy: -39.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -451.014768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.014768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.014768 (E_RNA)
where:
Base-Base interactions energy: -279.525
where: short stacking energy: -136.824
Base-Backbone interact. energy: 0.130
local terms energy: -171.620222
where:
bonds (distance) C4'-P energy: -46.875
bonds (distance) P-C4' energy: -30.004
flat angles C4'-P-C4' energy: -48.595
flat angles P-C4'-P energy: -25.446
tors. eta vs tors. theta energy: -20.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -290.515378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.515378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.515378 (E_RNA)
where:
Base-Base interactions energy: -134.890
where: short stacking energy: -89.222
Base-Backbone interact. energy: -0.863
local terms energy: -154.762364
where:
bonds (distance) C4'-P energy: -42.206
bonds (distance) P-C4' energy: -53.769
flat angles C4'-P-C4' energy: -34.517
flat angles P-C4'-P energy: -21.864
tors. eta vs tors. theta energy: -2.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -252.009405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.009405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.009405 (E_RNA)
where:
Base-Base interactions energy: -97.811
where: short stacking energy: -61.335
Base-Backbone interact. energy: -0.480
local terms energy: -153.718704
where:
bonds (distance) C4'-P energy: -52.449
bonds (distance) P-C4' energy: -41.828
flat angles C4'-P-C4' energy: -40.333
flat angles P-C4'-P energy: -25.445
tors. eta vs tors. theta energy: 6.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -897.182647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.182647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.182647 (E_RNA)
where:
Base-Base interactions energy: -626.283
where: short stacking energy: -271.389
Base-Backbone interact. energy: -2.347
local terms energy: -268.551816
where:
bonds (distance) C4'-P energy: -46.158
bonds (distance) P-C4' energy: -56.966
flat angles C4'-P-C4' energy: -57.508
flat angles P-C4'-P energy: -37.928
tors. eta vs tors. theta energy: -69.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -870.481691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.481691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.481691 (E_RNA)
where:
Base-Base interactions energy: -585.950
where: short stacking energy: -254.689
Base-Backbone interact. energy: -1.757
local terms energy: -282.774315
where:
bonds (distance) C4'-P energy: -58.783
bonds (distance) P-C4' energy: -48.873
flat angles C4'-P-C4' energy: -62.213
flat angles P-C4'-P energy: -40.281
tors. eta vs tors. theta energy: -72.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -864.941678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.941678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.941678 (E_RNA)
where:
Base-Base interactions energy: -594.058
where: short stacking energy: -250.597
Base-Backbone interact. energy: -2.013
local terms energy: -268.871190
where:
bonds (distance) C4'-P energy: -53.992
bonds (distance) P-C4' energy: -49.364
flat angles C4'-P-C4' energy: -54.841
flat angles P-C4'-P energy: -41.513
tors. eta vs tors. theta energy: -69.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -846.522398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.522398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.522398 (E_RNA)
where:
Base-Base interactions energy: -581.272
where: short stacking energy: -251.956
Base-Backbone interact. energy: -1.011
local terms energy: -264.239455
where:
bonds (distance) C4'-P energy: -45.352
bonds (distance) P-C4' energy: -53.270
flat angles C4'-P-C4' energy: -51.130
flat angles P-C4'-P energy: -45.898
tors. eta vs tors. theta energy: -68.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -764.652643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.652643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.652643 (E_RNA)
where:
Base-Base interactions energy: -535.158
where: short stacking energy: -212.053
Base-Backbone interact. energy: 0.050
local terms energy: -229.544730
where:
bonds (distance) C4'-P energy: -36.934
bonds (distance) P-C4' energy: -43.584
flat angles C4'-P-C4' energy: -60.198
flat angles P-C4'-P energy: -30.907
tors. eta vs tors. theta energy: -57.922
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: 304
Temperature: 1.150000
Total energy: -711.587796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.587796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.587796 (E_RNA)
where:
Base-Base interactions energy: -477.067
where: short stacking energy: -192.601
Base-Backbone interact. energy: -0.307
local terms energy: -234.213500
where:
bonds (distance) C4'-P energy: -45.561
bonds (distance) P-C4' energy: -45.999
flat angles C4'-P-C4' energy: -57.020
flat angles P-C4'-P energy: -37.511
tors. eta vs tors. theta energy: -48.123
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: 8
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -604.464965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.464965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.464965 (E_RNA)
where:
Base-Base interactions energy: -395.062
where: short stacking energy: -150.647
Base-Backbone interact. energy: -0.752
local terms energy: -208.651099
where:
bonds (distance) C4'-P energy: -49.765
bonds (distance) P-C4' energy: -46.651
flat angles C4'-P-C4' energy: -46.639
flat angles P-C4'-P energy: -35.671
tors. eta vs tors. theta energy: -29.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -461.454903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.454903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.454903 (E_RNA)
where:
Base-Base interactions energy: -276.388
where: short stacking energy: -133.075
Base-Backbone interact. energy: -2.050
local terms energy: -183.016341
where:
bonds (distance) C4'-P energy: -45.285
bonds (distance) P-C4' energy: -47.693
flat angles C4'-P-C4' energy: -39.125
flat angles P-C4'-P energy: -26.612
tors. eta vs tors. theta energy: -24.302
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: 9, replica: 9
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -279.599661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.599661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.599661 (E_RNA)
where:
Base-Base interactions energy: -121.224
where: short stacking energy: -85.781
Base-Backbone interact. energy: -1.023
local terms energy: -157.353218
where:
bonds (distance) C4'-P energy: -46.824
bonds (distance) P-C4' energy: -47.884
flat angles C4'-P-C4' energy: -41.684
flat angles P-C4'-P energy: -14.559
tors. eta vs tors. theta energy: -6.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -264.673998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.673998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.673998 (E_RNA)
where:
Base-Base interactions energy: -110.728
where: short stacking energy: -82.666
Base-Backbone interact. energy: 1.056
local terms energy: -155.001388
where:
bonds (distance) C4'-P energy: -30.815
bonds (distance) P-C4' energy: -54.353
flat angles C4'-P-C4' energy: -36.645
flat angles P-C4'-P energy: -20.756
tors. eta vs tors. theta energy: -12.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -907.124400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.124400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.124400 (E_RNA)
where:
Base-Base interactions energy: -631.090
where: short stacking energy: -272.640
Base-Backbone interact. energy: -1.176
local terms energy: -274.858109
where:
bonds (distance) C4'-P energy: -46.335
bonds (distance) P-C4' energy: -56.428
flat angles C4'-P-C4' energy: -55.879
flat angles P-C4'-P energy: -40.802
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: 2, replica: 4
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -898.874150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.874150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.874150 (E_RNA)
where:
Base-Base interactions energy: -633.025
where: short stacking energy: -271.685
Base-Backbone interact. energy: -0.758
local terms energy: -265.091406
where:
bonds (distance) C4'-P energy: -40.437
bonds (distance) P-C4' energy: -52.814
flat angles C4'-P-C4' energy: -57.725
flat angles P-C4'-P energy: -38.624
tors. eta vs tors. theta energy: -75.492
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: 3
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -849.180901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.180901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.180901 (E_RNA)
where:
Base-Base interactions energy: -577.558
where: short stacking energy: -240.115
Base-Backbone interact. energy: -0.114
local terms energy: -271.509013
where:
bonds (distance) C4'-P energy: -51.046
bonds (distance) P-C4' energy: -56.559
flat angles C4'-P-C4' energy: -60.962
flat angles P-C4'-P energy: -39.965
tors. eta vs tors. theta energy: -62.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -839.160194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.160194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.160194 (E_RNA)
where:
Base-Base interactions energy: -583.323
where: short stacking energy: -229.338
Base-Backbone interact. energy: 0.832
local terms energy: -256.669236
where:
bonds (distance) C4'-P energy: -48.994
bonds (distance) P-C4' energy: -52.554
flat angles C4'-P-C4' energy: -53.645
flat angles P-C4'-P energy: -39.419
tors. eta vs tors. theta energy: -62.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -784.656327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.656327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.656327 (E_RNA)
where:
Base-Base interactions energy: -537.063
where: short stacking energy: -219.453
Base-Backbone interact. energy: -2.190
local terms energy: -245.403524
where:
bonds (distance) C4'-P energy: -43.309
bonds (distance) P-C4' energy: -47.150
flat angles C4'-P-C4' energy: -55.331
flat angles P-C4'-P energy: -40.461
tors. eta vs tors. theta energy: -59.153
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: 6, replica: 6
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -703.340665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.340665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.340665 (E_RNA)
where:
Base-Base interactions energy: -466.842
where: short stacking energy: -195.078
Base-Backbone interact. energy: -0.820
local terms energy: -235.678290
where:
bonds (distance) C4'-P energy: -46.024
bonds (distance) P-C4' energy: -57.431
flat angles C4'-P-C4' energy: -52.138
flat angles P-C4'-P energy: -34.085
tors. eta vs tors. theta energy: -46.001
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: 8
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -574.406442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.406442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.406442 (E_RNA)
where:
Base-Base interactions energy: -370.021
where: short stacking energy: -177.064
Base-Backbone interact. energy: -0.878
local terms energy: -203.507553
where:
bonds (distance) C4'-P energy: -40.646
bonds (distance) P-C4' energy: -41.910
flat angles C4'-P-C4' energy: -50.643
flat angles P-C4'-P energy: -31.615
tors. eta vs tors. theta energy: -38.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -488.349748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.349748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.349748 (E_RNA)
where:
Base-Base interactions energy: -283.717
where: short stacking energy: -135.619
Base-Backbone interact. energy: -2.288
local terms energy: -202.343960
where:
bonds (distance) C4'-P energy: -32.861
bonds (distance) P-C4' energy: -41.980
flat angles C4'-P-C4' energy: -50.860
flat angles P-C4'-P energy: -41.451
tors. eta vs tors. theta energy: -35.191
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: 9
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -279.723984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.723984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.723984 (E_RNA)
where:
Base-Base interactions energy: -118.390
where: short stacking energy: -78.253
Base-Backbone interact. energy: -0.495
local terms energy: -160.839246
where:
bonds (distance) C4'-P energy: -35.692
bonds (distance) P-C4' energy: -55.199
flat angles C4'-P-C4' energy: -46.945
flat angles P-C4'-P energy: -28.194
tors. eta vs tors. theta energy: 5.191
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: 10, replica: 10
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -216.599247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.599247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.599247 (E_RNA)
where:
Base-Base interactions energy: -68.231
where: short stacking energy: -60.477
Base-Backbone interact. energy: -1.437
local terms energy: -146.930669
where:
bonds (distance) C4'-P energy: -50.091
bonds (distance) P-C4' energy: -38.734
flat angles C4'-P-C4' energy: -36.758
flat angles P-C4'-P energy: -28.106
tors. eta vs tors. theta energy: 6.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -929.498071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.498071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.498071 (E_RNA)
where:
Base-Base interactions energy: -638.994
where: short stacking energy: -278.117
Base-Backbone interact. energy: -2.280
local terms energy: -288.224577
where:
bonds (distance) C4'-P energy: -59.645
bonds (distance) P-C4' energy: -54.277
flat angles C4'-P-C4' energy: -57.951
flat angles P-C4'-P energy: -32.746
tors. eta vs tors. theta energy: -83.605
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: 306
Temperature: 0.950000
Total energy: -897.804127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.804127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.804127 (E_RNA)
where:
Base-Base interactions energy: -621.526
where: short stacking energy: -268.760
Base-Backbone interact. energy: 2.345
local terms energy: -278.622700
where:
bonds (distance) C4'-P energy: -41.606
bonds (distance) P-C4' energy: -54.325
flat angles C4'-P-C4' energy: -58.443
flat angles P-C4'-P energy: -46.876
tors. eta vs tors. theta energy: -77.372
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: 3
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -862.438190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.438190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.438190 (E_RNA)
where:
Base-Base interactions energy: -602.953
where: short stacking energy: -260.513
Base-Backbone interact. energy: -0.512
local terms energy: -258.973204
where:
bonds (distance) C4'-P energy: -44.022
bonds (distance) P-C4' energy: -51.457
flat angles C4'-P-C4' energy: -56.510
flat angles P-C4'-P energy: -40.759
tors. eta vs tors. theta energy: -66.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -813.167526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.167526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.167526 (E_RNA)
where:
Base-Base interactions energy: -565.364
where: short stacking energy: -240.842
Base-Backbone interact. energy: -1.136
local terms energy: -246.667362
where:
bonds (distance) C4'-P energy: -47.670
bonds (distance) P-C4' energy: -54.278
flat angles C4'-P-C4' energy: -51.133
flat angles P-C4'-P energy: -30.070
tors. eta vs tors. theta energy: -63.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -782.738807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.738807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.738807 (E_RNA)
where:
Base-Base interactions energy: -530.019
where: short stacking energy: -222.155
Base-Backbone interact. energy: -1.501
local terms energy: -251.218581
where:
bonds (distance) C4'-P energy: -50.772
bonds (distance) P-C4' energy: -55.750
flat angles C4'-P-C4' energy: -48.572
flat angles P-C4'-P energy: -31.089
tors. eta vs tors. theta energy: -65.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -715.772744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.772744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.772744 (E_RNA)
where:
Base-Base interactions energy: -481.282
where: short stacking energy: -207.047
Base-Backbone interact. energy: -0.790
local terms energy: -233.701197
where:
bonds (distance) C4'-P energy: -42.746
bonds (distance) P-C4' energy: -53.325
flat angles C4'-P-C4' energy: -57.770
flat angles P-C4'-P energy: -30.054
tors. eta vs tors. theta energy: -49.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -596.417316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.417316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.417316 (E_RNA)
where:
Base-Base interactions energy: -390.803
where: short stacking energy: -173.208
Base-Backbone interact. energy: -0.736
local terms energy: -204.878791
where:
bonds (distance) C4'-P energy: -44.545
bonds (distance) P-C4' energy: -45.137
flat angles C4'-P-C4' energy: -40.859
flat angles P-C4'-P energy: -39.573
tors. eta vs tors. theta energy: -34.765
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: 2
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -492.456115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.456115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.456115 (E_RNA)
where:
Base-Base interactions energy: -294.744
where: short stacking energy: -137.269
Base-Backbone interact. energy: -1.971
local terms energy: -195.741458
where:
bonds (distance) C4'-P energy: -39.666
bonds (distance) P-C4' energy: -48.879
flat angles C4'-P-C4' energy: -50.656
flat angles P-C4'-P energy: -29.989
tors. eta vs tors. theta energy: -26.551
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: 9, replica: 9
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -292.559923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.559923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.559923 (E_RNA)
where:
Base-Base interactions energy: -136.559
where: short stacking energy: -87.246
Base-Backbone interact. energy: -0.817
local terms energy: -155.183525
where:
bonds (distance) C4'-P energy: -38.830
bonds (distance) P-C4' energy: -37.814
flat angles C4'-P-C4' energy: -45.331
flat angles P-C4'-P energy: -26.553
tors. eta vs tors. theta energy: -6.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -325.533765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.533765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.533765 (E_RNA)
where:
Base-Base interactions energy: -170.460
where: short stacking energy: -107.004
Base-Backbone interact. energy: -1.422
local terms energy: -153.651630
where:
bonds (distance) C4'-P energy: -30.871
bonds (distance) P-C4' energy: -49.989
flat angles C4'-P-C4' energy: -38.488
flat angles P-C4'-P energy: -19.896
tors. eta vs tors. theta energy: -14.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -926.767035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.767035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.767035 (E_RNA)
where:
Base-Base interactions energy: -638.861
where: short stacking energy: -282.181
Base-Backbone interact. energy: -2.670
local terms energy: -285.236490
where:
bonds (distance) C4'-P energy: -50.260
bonds (distance) P-C4' energy: -58.183
flat angles C4'-P-C4' energy: -61.326
flat angles P-C4'-P energy: -40.302
tors. eta vs tors. theta energy: -75.167
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: 4
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -883.803532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.803532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.803532 (E_RNA)
where:
Base-Base interactions energy: -590.740
where: short stacking energy: -265.481
Base-Backbone interact. energy: -1.385
local terms energy: -291.678073
where:
bonds (distance) C4'-P energy: -54.442
bonds (distance) P-C4' energy: -52.590
flat angles C4'-P-C4' energy: -61.341
flat angles P-C4'-P energy: -49.753
tors. eta vs tors. theta energy: -73.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -874.196052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.196052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.196052 (E_RNA)
where:
Base-Base interactions energy: -599.479
where: short stacking energy: -258.886
Base-Backbone interact. energy: -2.562
local terms energy: -272.155399
where:
bonds (distance) C4'-P energy: -44.342
bonds (distance) P-C4' energy: -46.124
flat angles C4'-P-C4' energy: -63.428
flat angles P-C4'-P energy: -40.168
tors. eta vs tors. theta energy: -78.093
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: 1
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -839.905010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.905010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.905010 (E_RNA)
where:
Base-Base interactions energy: -579.291
where: short stacking energy: -236.230
Base-Backbone interact. energy: -1.662
local terms energy: -258.952291
where:
bonds (distance) C4'-P energy: -47.607
bonds (distance) P-C4' energy: -54.991
flat angles C4'-P-C4' energy: -55.756
flat angles P-C4'-P energy: -40.470
tors. eta vs tors. theta energy: -60.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -798.601171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.601171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.601171 (E_RNA)
where:
Base-Base interactions energy: -556.958
where: short stacking energy: -249.793
Base-Backbone interact. energy: 2.862
local terms energy: -244.505577
where:
bonds (distance) C4'-P energy: -53.871
bonds (distance) P-C4' energy: -51.737
flat angles C4'-P-C4' energy: -47.732
flat angles P-C4'-P energy: -25.527
tors. eta vs tors. theta energy: -65.638
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: 6, replica: 6
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -698.277831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.277831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.277831 (E_RNA)
where:
Base-Base interactions energy: -476.819
where: short stacking energy: -202.319
Base-Backbone interact. energy: -2.141
local terms energy: -219.317737
where:
bonds (distance) C4'-P energy: -44.679
bonds (distance) P-C4' energy: -46.970
flat angles C4'-P-C4' energy: -51.307
flat angles P-C4'-P energy: -28.697
tors. eta vs tors. theta energy: -47.665
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: 8
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -580.470616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.470616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.470616 (E_RNA)
where:
Base-Base interactions energy: -362.462
where: short stacking energy: -158.766
Base-Backbone interact. energy: -2.368
local terms energy: -215.640894
where:
bonds (distance) C4'-P energy: -51.901
bonds (distance) P-C4' energy: -57.206
flat angles C4'-P-C4' energy: -42.913
flat angles P-C4'-P energy: -32.448
tors. eta vs tors. theta energy: -31.173
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: 8, replica: 2
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -435.938937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.938937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.938937 (E_RNA)
where:
Base-Base interactions energy: -260.416
where: short stacking energy: -128.496
Base-Backbone interact. energy: -0.129
local terms energy: -175.393944
where:
bonds (distance) C4'-P energy: -43.180
bonds (distance) P-C4' energy: -46.309
flat angles C4'-P-C4' energy: -46.764
flat angles P-C4'-P energy: -24.148
tors. eta vs tors. theta energy: -14.993
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: 9, replica: 9
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -312.033223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.033223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.033223 (E_RNA)
where:
Base-Base interactions energy: -151.337
where: short stacking energy: -83.621
Base-Backbone interact. energy: -0.892
local terms energy: -159.804998
where:
bonds (distance) C4'-P energy: -39.317
bonds (distance) P-C4' energy: -54.033
flat angles C4'-P-C4' energy: -32.805
flat angles P-C4'-P energy: -23.317
tors. eta vs tors. theta energy: -10.333
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: 10
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -356.907192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.907192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.907192 (E_RNA)
where:
Base-Base interactions energy: -189.033
where: short stacking energy: -99.913
Base-Backbone interact. energy: 0.221
local terms energy: -168.095595
where:
bonds (distance) C4'-P energy: -55.493
bonds (distance) P-C4' energy: -39.453
flat angles C4'-P-C4' energy: -32.608
flat angles P-C4'-P energy: -30.569
tors. eta vs tors. theta energy: -9.972
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: 5
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -927.358247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.358247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.358247 (E_RNA)
where:
Base-Base interactions energy: -630.203
where: short stacking energy: -272.852
Base-Backbone interact. energy: -0.383
local terms energy: -296.772570
where:
bonds (distance) C4'-P energy: -51.376
bonds (distance) P-C4' energy: -58.106
flat angles C4'-P-C4' energy: -64.563
flat angles P-C4'-P energy: -44.545
tors. eta vs tors. theta energy: -78.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -894.911780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.911780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.911780 (E_RNA)
where:
Base-Base interactions energy: -614.802
where: short stacking energy: -275.852
Base-Backbone interact. energy: -1.868
local terms energy: -278.241563
where:
bonds (distance) C4'-P energy: -51.295
bonds (distance) P-C4' energy: -57.572
flat angles C4'-P-C4' energy: -56.321
flat angles P-C4'-P energy: -36.431
tors. eta vs tors. theta energy: -76.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -863.203039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.203039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.203039 (E_RNA)
where:
Base-Base interactions energy: -606.896
where: short stacking energy: -256.842
Base-Backbone interact. energy: -0.231
local terms energy: -256.076084
where:
bonds (distance) C4'-P energy: -43.857
bonds (distance) P-C4' energy: -44.965
flat angles C4'-P-C4' energy: -59.137
flat angles P-C4'-P energy: -37.165
tors. eta vs tors. theta energy: -70.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -819.567226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.567226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.567226 (E_RNA)
where:
Base-Base interactions energy: -555.293
where: short stacking energy: -239.002
Base-Backbone interact. energy: -1.461
local terms energy: -262.813317
where:
bonds (distance) C4'-P energy: -48.164
bonds (distance) P-C4' energy: -49.256
flat angles C4'-P-C4' energy: -54.733
flat angles P-C4'-P energy: -39.391
tors. eta vs tors. theta energy: -71.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -813.710399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.710399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.710399 (E_RNA)
where:
Base-Base interactions energy: -545.446
where: short stacking energy: -237.994
Base-Backbone interact. energy: -0.940
local terms energy: -267.324072
where:
bonds (distance) C4'-P energy: -56.384
bonds (distance) P-C4' energy: -50.561
flat angles C4'-P-C4' energy: -52.523
flat angles P-C4'-P energy: -40.834
tors. eta vs tors. theta energy: -67.022
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: 308
Temperature: 1.150000
Total energy: -707.974380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.974380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.974380 (E_RNA)
where:
Base-Base interactions energy: -475.207
where: short stacking energy: -188.093
Base-Backbone interact. energy: -0.455
local terms energy: -232.312272
where:
bonds (distance) C4'-P energy: -54.979
bonds (distance) P-C4' energy: -47.415
flat angles C4'-P-C4' energy: -54.354
flat angles P-C4'-P energy: -29.565
tors. eta vs tors. theta energy: -45.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -599.082681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.082681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.082681 (E_RNA)
where:
Base-Base interactions energy: -372.114
where: short stacking energy: -169.102
Base-Backbone interact. energy: -0.927
local terms energy: -226.041767
where:
bonds (distance) C4'-P energy: -45.000
bonds (distance) P-C4' energy: -57.766
flat angles C4'-P-C4' energy: -53.020
flat angles P-C4'-P energy: -29.518
tors. eta vs tors. theta energy: -40.737
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: 8, replica: 2
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -444.240108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.240108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.240108 (E_RNA)
where:
Base-Base interactions energy: -256.841
where: short stacking energy: -116.946
Base-Backbone interact. energy: 0.792
local terms energy: -188.191422
where:
bonds (distance) C4'-P energy: -46.192
bonds (distance) P-C4' energy: -53.058
flat angles C4'-P-C4' energy: -42.194
flat angles P-C4'-P energy: -26.759
tors. eta vs tors. theta energy: -19.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -337.924517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.924517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.924517 (E_RNA)
where:
Base-Base interactions energy: -190.037
where: short stacking energy: -108.700
Base-Backbone interact. energy: -1.011
local terms energy: -146.876650
where:
bonds (distance) C4'-P energy: -38.544
bonds (distance) P-C4' energy: -40.899
flat angles C4'-P-C4' energy: -31.356
flat angles P-C4'-P energy: -27.051
tors. eta vs tors. theta energy: -9.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -293.656695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.656695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.656695 (E_RNA)
where:
Base-Base interactions energy: -127.375
where: short stacking energy: -81.486
Base-Backbone interact. energy: -0.850
local terms energy: -165.431243
where:
bonds (distance) C4'-P energy: -40.848
bonds (distance) P-C4' energy: -51.208
flat angles C4'-P-C4' energy: -44.698
flat angles P-C4'-P energy: -23.088
tors. eta vs tors. theta energy: -5.589
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: 1, replica: 5
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -931.675059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.675059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.675059 (E_RNA)
where:
Base-Base interactions energy: -620.326
where: short stacking energy: -276.792
Base-Backbone interact. energy: -1.681
local terms energy: -309.667709
where:
bonds (distance) C4'-P energy: -59.154
bonds (distance) P-C4' energy: -58.325
flat angles C4'-P-C4' energy: -63.143
flat angles P-C4'-P energy: -49.314
tors. eta vs tors. theta energy: -79.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -880.703782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.703782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.703782 (E_RNA)
where:
Base-Base interactions energy: -624.899
where: short stacking energy: -256.571
Base-Backbone interact. energy: 0.493
local terms energy: -256.296999
where:
bonds (distance) C4'-P energy: -42.537
bonds (distance) P-C4' energy: -49.646
flat angles C4'-P-C4' energy: -61.654
flat angles P-C4'-P energy: -36.805
tors. eta vs tors. theta energy: -65.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -860.194263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.194263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.194263 (E_RNA)
where:
Base-Base interactions energy: -591.228
where: short stacking energy: -254.385
Base-Backbone interact. energy: 0.521
local terms energy: -269.487361
where:
bonds (distance) C4'-P energy: -49.144
bonds (distance) P-C4' energy: -53.096
flat angles C4'-P-C4' energy: -59.037
flat angles P-C4'-P energy: -33.393
tors. eta vs tors. theta energy: -74.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -849.419075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.419075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.419075 (E_RNA)
where:
Base-Base interactions energy: -596.023
where: short stacking energy: -259.447
Base-Backbone interact. energy: -2.361
local terms energy: -251.034892
where:
bonds (distance) C4'-P energy: -49.991
bonds (distance) P-C4' energy: -34.650
flat angles C4'-P-C4' energy: -60.626
flat angles P-C4'-P energy: -30.748
tors. eta vs tors. theta energy: -75.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -809.076424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.076424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.076424 (E_RNA)
where:
Base-Base interactions energy: -551.206
where: short stacking energy: -248.437
Base-Backbone interact. energy: -1.311
local terms energy: -256.560241
where:
bonds (distance) C4'-P energy: -34.973
bonds (distance) P-C4' energy: -57.860
flat angles C4'-P-C4' energy: -58.797
flat angles P-C4'-P energy: -33.823
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: 6, replica: 6
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -708.839925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.839925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.839925 (E_RNA)
where:
Base-Base interactions energy: -481.075
where: short stacking energy: -203.702
Base-Backbone interact. energy: 1.660
local terms energy: -229.425081
where:
bonds (distance) C4'-P energy: -56.841
bonds (distance) P-C4' energy: -45.001
flat angles C4'-P-C4' energy: -41.880
flat angles P-C4'-P energy: -35.722
tors. eta vs tors. theta energy: -49.982
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: 8
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -620.867885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.867885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.867885 (E_RNA)
where:
Base-Base interactions energy: -410.446
where: short stacking energy: -189.902
Base-Backbone interact. energy: -2.459
local terms energy: -207.962027
where:
bonds (distance) C4'-P energy: -38.351
bonds (distance) P-C4' energy: -56.850
flat angles C4'-P-C4' energy: -51.641
flat angles P-C4'-P energy: -20.729
tors. eta vs tors. theta energy: -40.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -452.824699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.824699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.824699 (E_RNA)
where:
Base-Base interactions energy: -274.510
where: short stacking energy: -124.425
Base-Backbone interact. energy: 1.411
local terms energy: -179.725934
where:
bonds (distance) C4'-P energy: -44.089
bonds (distance) P-C4' energy: -53.134
flat angles C4'-P-C4' energy: -39.028
flat angles P-C4'-P energy: -27.194
tors. eta vs tors. theta energy: -16.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -339.434706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.434706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.434706 (E_RNA)
where:
Base-Base interactions energy: -177.158
where: short stacking energy: -112.216
Base-Backbone interact. energy: -0.456
local terms energy: -161.820387
where:
bonds (distance) C4'-P energy: -46.754
bonds (distance) P-C4' energy: -43.243
flat angles C4'-P-C4' energy: -29.493
flat angles P-C4'-P energy: -27.510
tors. eta vs tors. theta energy: -14.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -292.654894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.654894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.654894 (E_RNA)
where:
Base-Base interactions energy: -135.914
where: short stacking energy: -92.283
Base-Backbone interact. energy: -0.725
local terms energy: -156.016489
where:
bonds (distance) C4'-P energy: -26.997
bonds (distance) P-C4' energy: -50.677
flat angles C4'-P-C4' energy: -41.484
flat angles P-C4'-P energy: -27.239
tors. eta vs tors. theta energy: -9.620
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: 4
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -905.927605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.927605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.927605 (E_RNA)
where:
Base-Base interactions energy: -615.267
where: short stacking energy: -266.486
Base-Backbone interact. energy: -0.019
local terms energy: -290.642140
where:
bonds (distance) C4'-P energy: -59.123
bonds (distance) P-C4' energy: -56.376
flat angles C4'-P-C4' energy: -62.925
flat angles P-C4'-P energy: -44.301
tors. eta vs tors. theta energy: -67.917
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: 2, replica: 5
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -895.650911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.650911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.650911 (E_RNA)
where:
Base-Base interactions energy: -612.650
where: short stacking energy: -271.575
Base-Backbone interact. energy: 0.148
local terms energy: -283.149132
where:
bonds (distance) C4'-P energy: -51.871
bonds (distance) P-C4' energy: -54.216
flat angles C4'-P-C4' energy: -60.622
flat angles P-C4'-P energy: -36.359
tors. eta vs tors. theta energy: -80.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -836.695877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.695877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.695877 (E_RNA)
where:
Base-Base interactions energy: -576.467
where: short stacking energy: -253.046
Base-Backbone interact. energy: -1.581
local terms energy: -258.648092
where:
bonds (distance) C4'-P energy: -54.077
bonds (distance) P-C4' energy: -56.447
flat angles C4'-P-C4' energy: -50.004
flat angles P-C4'-P energy: -33.855
tors. eta vs tors. theta energy: -64.266
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: 3
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -840.168202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.168202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.168202 (E_RNA)
where:
Base-Base interactions energy: -580.150
where: short stacking energy: -245.693
Base-Backbone interact. energy: -1.302
local terms energy: -258.716242
where:
bonds (distance) C4'-P energy: -52.273
bonds (distance) P-C4' energy: -47.749
flat angles C4'-P-C4' energy: -59.196
flat angles P-C4'-P energy: -33.359
tors. eta vs tors. theta energy: -66.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -786.545163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.545163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.545163 (E_RNA)
where:
Base-Base interactions energy: -546.438
where: short stacking energy: -229.267
Base-Backbone interact. energy: -0.527
local terms energy: -239.580064
where:
bonds (distance) C4'-P energy: -33.433
bonds (distance) P-C4' energy: -47.646
flat angles C4'-P-C4' energy: -58.735
flat angles P-C4'-P energy: -33.313
tors. eta vs tors. theta energy: -66.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -714.685257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.685257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.685257 (E_RNA)
where:
Base-Base interactions energy: -492.126
where: short stacking energy: -204.207
Base-Backbone interact. energy: -0.429
local terms energy: -222.129912
where:
bonds (distance) C4'-P energy: -45.254
bonds (distance) P-C4' energy: -44.115
flat angles C4'-P-C4' energy: -46.658
flat angles P-C4'-P energy: -38.248
tors. eta vs tors. theta energy: -47.854
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: 8
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -617.830728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.830728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.830728 (E_RNA)
where:
Base-Base interactions energy: -406.083
where: short stacking energy: -189.298
Base-Backbone interact. energy: -0.578
local terms energy: -211.169455
where:
bonds (distance) C4'-P energy: -56.863
bonds (distance) P-C4' energy: -46.033
flat angles C4'-P-C4' energy: -38.781
flat angles P-C4'-P energy: -31.285
tors. eta vs tors. theta energy: -38.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -510.851461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.851461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.851461 (E_RNA)
where:
Base-Base interactions energy: -315.875
where: short stacking energy: -148.555
Base-Backbone interact. energy: 0.668
local terms energy: -195.644098
where:
bonds (distance) C4'-P energy: -42.044
bonds (distance) P-C4' energy: -48.085
flat angles C4'-P-C4' energy: -46.810
flat angles P-C4'-P energy: -31.063
tors. eta vs tors. theta energy: -27.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -290.800842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.800842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.800842 (E_RNA)
where:
Base-Base interactions energy: -130.936
where: short stacking energy: -72.942
Base-Backbone interact. energy: -0.855
local terms energy: -159.009540
where:
bonds (distance) C4'-P energy: -41.398
bonds (distance) P-C4' energy: -51.954
flat angles C4'-P-C4' energy: -42.216
flat angles P-C4'-P energy: -19.120
tors. eta vs tors. theta energy: -4.321
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: 10, replica: 10
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -287.205478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.205478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.205478 (E_RNA)
where:
Base-Base interactions energy: -137.295
where: short stacking energy: -79.628
Base-Backbone interact. energy: -0.742
local terms energy: -149.167996
where:
bonds (distance) C4'-P energy: -44.420
bonds (distance) P-C4' energy: -48.030
flat angles C4'-P-C4' energy: -39.695
flat angles P-C4'-P energy: -10.478
tors. eta vs tors. theta energy: -6.545
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: 4
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -909.160657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.160657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.160657 (E_RNA)
where:
Base-Base interactions energy: -629.186
where: short stacking energy: -272.706
Base-Backbone interact. energy: -2.017
local terms energy: -277.957022
where:
bonds (distance) C4'-P energy: -49.991
bonds (distance) P-C4' energy: -57.702
flat angles C4'-P-C4' energy: -56.959
flat angles P-C4'-P energy: -39.037
tors. eta vs tors. theta energy: -74.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -910.118492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.118492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.118492 (E_RNA)
where:
Base-Base interactions energy: -634.153
where: short stacking energy: -272.775
Base-Backbone interact. energy: -0.064
local terms energy: -275.901444
where:
bonds (distance) C4'-P energy: -47.192
bonds (distance) P-C4' energy: -52.974
flat angles C4'-P-C4' energy: -60.593
flat angles P-C4'-P energy: -40.810
tors. eta vs tors. theta energy: -74.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -856.596667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.596667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.596667 (E_RNA)
where:
Base-Base interactions energy: -602.644
where: short stacking energy: -252.830
Base-Backbone interact. energy: -0.571
local terms energy: -253.382064
where:
bonds (distance) C4'-P energy: -52.273
bonds (distance) P-C4' energy: -52.035
flat angles C4'-P-C4' energy: -53.167
flat angles P-C4'-P energy: -34.757
tors. eta vs tors. theta energy: -61.150
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: 3
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -815.289201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.289201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.289201 (E_RNA)
where:
Base-Base interactions energy: -560.033
where: short stacking energy: -245.857
Base-Backbone interact. energy: -1.244
local terms energy: -254.012557
where:
bonds (distance) C4'-P energy: -45.318
bonds (distance) P-C4' energy: -44.700
flat angles C4'-P-C4' energy: -58.181
flat angles P-C4'-P energy: -36.355
tors. eta vs tors. theta energy: -69.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -780.358168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.358168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.358168 (E_RNA)
where:
Base-Base interactions energy: -537.784
where: short stacking energy: -219.888
Base-Backbone interact. energy: 0.869
local terms energy: -243.443214
where:
bonds (distance) C4'-P energy: -46.035
bonds (distance) P-C4' energy: -44.779
flat angles C4'-P-C4' energy: -55.203
flat angles P-C4'-P energy: -35.274
tors. eta vs tors. theta energy: -62.151
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: 6, replica: 6
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -713.464194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.464194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.464194 (E_RNA)
where:
Base-Base interactions energy: -475.596
where: short stacking energy: -200.766
Base-Backbone interact. energy: -1.207
local terms energy: -236.660991
where:
bonds (distance) C4'-P energy: -47.134
bonds (distance) P-C4' energy: -57.308
flat angles C4'-P-C4' energy: -49.476
flat angles P-C4'-P energy: -33.655
tors. eta vs tors. theta energy: -49.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -600.788077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.788077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.788077 (E_RNA)
where:
Base-Base interactions energy: -380.405
where: short stacking energy: -162.779
Base-Backbone interact. energy: -1.805
local terms energy: -218.577209
where:
bonds (distance) C4'-P energy: -52.085
bonds (distance) P-C4' energy: -45.184
flat angles C4'-P-C4' energy: -45.936
flat angles P-C4'-P energy: -39.557
tors. eta vs tors. theta energy: -35.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -443.950059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.950059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.950059 (E_RNA)
where:
Base-Base interactions energy: -264.099
where: short stacking energy: -136.800
Base-Backbone interact. energy: 1.536
local terms energy: -181.387738
where:
bonds (distance) C4'-P energy: -43.603
bonds (distance) P-C4' energy: -43.318
flat angles C4'-P-C4' energy: -35.848
flat angles P-C4'-P energy: -37.589
tors. eta vs tors. theta energy: -21.030
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: 9
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -300.217228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.217228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.217228 (E_RNA)
where:
Base-Base interactions energy: -140.054
where: short stacking energy: -94.135
Base-Backbone interact. energy: -2.259
local terms energy: -157.904776
where:
bonds (distance) C4'-P energy: -37.132
bonds (distance) P-C4' energy: -50.769
flat angles C4'-P-C4' energy: -46.082
flat angles P-C4'-P energy: -20.824
tors. eta vs tors. theta energy: -3.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -310.893763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.893763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.893763 (E_RNA)
where:
Base-Base interactions energy: -144.697
where: short stacking energy: -88.190
Base-Backbone interact. energy: -0.905
local terms energy: -165.292133
where:
bonds (distance) C4'-P energy: -55.284
bonds (distance) P-C4' energy: -52.567
flat angles C4'-P-C4' energy: -40.645
flat angles P-C4'-P energy: -11.258
tors. eta vs tors. theta energy: -5.538
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: 4
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -910.260326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.260326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.260326 (E_RNA)
where:
Base-Base interactions energy: -610.964
where: short stacking energy: -277.767
Base-Backbone interact. energy: -1.032
local terms energy: -298.263967
where:
bonds (distance) C4'-P energy: -50.951
bonds (distance) P-C4' energy: -53.074
flat angles C4'-P-C4' energy: -67.836
flat angles P-C4'-P energy: -45.578
tors. eta vs tors. theta energy: -80.825
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: 5
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -880.290873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.290873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.290873 (E_RNA)
where:
Base-Base interactions energy: -609.086
where: short stacking energy: -262.855
Base-Backbone interact. energy: -1.189
local terms energy: -270.015377
where:
bonds (distance) C4'-P energy: -49.395
bonds (distance) P-C4' energy: -58.948
flat angles C4'-P-C4' energy: -59.117
flat angles P-C4'-P energy: -31.149
tors. eta vs tors. theta energy: -71.406
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: 3, replica: 3
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -885.327431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.327431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.327431 (E_RNA)
where:
Base-Base interactions energy: -613.623
where: short stacking energy: -273.318
Base-Backbone interact. energy: 0.399
local terms energy: -272.102802
where:
bonds (distance) C4'-P energy: -44.178
bonds (distance) P-C4' energy: -51.652
flat angles C4'-P-C4' energy: -55.842
flat angles P-C4'-P energy: -47.509
tors. eta vs tors. theta energy: -72.922
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: 1
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -840.576240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.576240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.576240 (E_RNA)
where:
Base-Base interactions energy: -575.058
where: short stacking energy: -240.541
Base-Backbone interact. energy: -0.668
local terms energy: -264.850050
where:
bonds (distance) C4'-P energy: -49.203
bonds (distance) P-C4' energy: -52.549
flat angles C4'-P-C4' energy: -58.471
flat angles P-C4'-P energy: -31.787
tors. eta vs tors. theta energy: -72.840
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: 7
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -790.302131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.302131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.302131 (E_RNA)
where:
Base-Base interactions energy: -537.053
where: short stacking energy: -231.398
Base-Backbone interact. energy: -1.365
local terms energy: -251.884282
where:
bonds (distance) C4'-P energy: -50.599
bonds (distance) P-C4' energy: -39.505
flat angles C4'-P-C4' energy: -54.563
flat angles P-C4'-P energy: -40.162
tors. eta vs tors. theta energy: -67.055
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: 312
Temperature: 1.150000
Total energy: -735.919824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.919824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.919824 (E_RNA)
where:
Base-Base interactions energy: -497.024
where: short stacking energy: -210.443
Base-Backbone interact. energy: 1.157
local terms energy: -240.052602
where:
bonds (distance) C4'-P energy: -39.569
bonds (distance) P-C4' energy: -54.468
flat angles C4'-P-C4' energy: -55.480
flat angles P-C4'-P energy: -41.144
tors. eta vs tors. theta energy: -49.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -648.330695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.330695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.330695 (E_RNA)
where:
Base-Base interactions energy: -433.075
where: short stacking energy: -190.430
Base-Backbone interact. energy: 0.895
local terms energy: -216.151446
where:
bonds (distance) C4'-P energy: -40.532
bonds (distance) P-C4' energy: -39.285
flat angles C4'-P-C4' energy: -51.130
flat angles P-C4'-P energy: -34.888
tors. eta vs tors. theta energy: -50.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -457.488995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.488995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.488995 (E_RNA)
where:
Base-Base interactions energy: -258.382
where: short stacking energy: -135.718
Base-Backbone interact. energy: -0.872
local terms energy: -198.234855
where:
bonds (distance) C4'-P energy: -37.794
bonds (distance) P-C4' energy: -46.567
flat angles C4'-P-C4' energy: -51.766
flat angles P-C4'-P energy: -31.411
tors. eta vs tors. theta energy: -30.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -308.306087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.306087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.306087 (E_RNA)
where:
Base-Base interactions energy: -129.508
where: short stacking energy: -87.046
Base-Backbone interact. energy: -1.261
local terms energy: -177.536773
where:
bonds (distance) C4'-P energy: -50.410
bonds (distance) P-C4' energy: -47.277
flat angles C4'-P-C4' energy: -44.794
flat angles P-C4'-P energy: -27.551
tors. eta vs tors. theta energy: -7.505
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: 10
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -300.494435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.494435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.494435 (E_RNA)
where:
Base-Base interactions energy: -153.877
where: short stacking energy: -82.297
Base-Backbone interact. energy: -1.325
local terms energy: -145.292796
where:
bonds (distance) C4'-P energy: -38.598
bonds (distance) P-C4' energy: -40.335
flat angles C4'-P-C4' energy: -41.715
flat angles P-C4'-P energy: -12.906
tors. eta vs tors. theta energy: -11.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -909.899930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.899930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.899930 (E_RNA)
where:
Base-Base interactions energy: -631.128
where: short stacking energy: -276.710
Base-Backbone interact. energy: -1.015
local terms energy: -277.757810
where:
bonds (distance) C4'-P energy: -54.194
bonds (distance) P-C4' energy: -48.334
flat angles C4'-P-C4' energy: -65.364
flat angles P-C4'-P energy: -35.975
tors. eta vs tors. theta energy: -73.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -889.361272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.361272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.361272 (E_RNA)
where:
Base-Base interactions energy: -603.608
where: short stacking energy: -262.293
Base-Backbone interact. energy: -2.218
local terms energy: -283.534655
where:
bonds (distance) C4'-P energy: -51.415
bonds (distance) P-C4' energy: -56.967
flat angles C4'-P-C4' energy: -58.043
flat angles P-C4'-P energy: -40.360
tors. eta vs tors. theta energy: -76.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -858.557422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.557422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.557422 (E_RNA)
where:
Base-Base interactions energy: -582.500
where: short stacking energy: -237.651
Base-Backbone interact. energy: -2.267
local terms energy: -273.789878
where:
bonds (distance) C4'-P energy: -48.313
bonds (distance) P-C4' energy: -57.185
flat angles C4'-P-C4' energy: -55.896
flat angles P-C4'-P energy: -37.932
tors. eta vs tors. theta energy: -74.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -835.839218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.839218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.839218 (E_RNA)
where:
Base-Base interactions energy: -572.100
where: short stacking energy: -238.893
Base-Backbone interact. energy: -0.858
local terms energy: -262.881113
where:
bonds (distance) C4'-P energy: -42.965
bonds (distance) P-C4' energy: -52.239
flat angles C4'-P-C4' energy: -54.057
flat angles P-C4'-P energy: -41.347
tors. eta vs tors. theta energy: -72.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -780.752599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.752599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.752599 (E_RNA)
where:
Base-Base interactions energy: -528.015
where: short stacking energy: -217.557
Base-Backbone interact. energy: 0.294
local terms energy: -253.031470
where:
bonds (distance) C4'-P energy: -40.976
bonds (distance) P-C4' energy: -52.508
flat angles C4'-P-C4' energy: -62.792
flat angles P-C4'-P energy: -35.816
tors. eta vs tors. theta energy: -60.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -732.556646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.556646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.556646 (E_RNA)
where:
Base-Base interactions energy: -502.176
where: short stacking energy: -216.545
Base-Backbone interact. energy: 0.844
local terms energy: -231.225012
where:
bonds (distance) C4'-P energy: -42.522
bonds (distance) P-C4' energy: -38.559
flat angles C4'-P-C4' energy: -56.459
flat angles P-C4'-P energy: -44.067
tors. eta vs tors. theta energy: -49.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -635.627829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.627829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.627829 (E_RNA)
where:
Base-Base interactions energy: -431.250
where: short stacking energy: -181.970
Base-Backbone interact. energy: 0.987
local terms energy: -205.364484
where:
bonds (distance) C4'-P energy: -46.089
bonds (distance) P-C4' energy: -43.787
flat angles C4'-P-C4' energy: -50.530
flat angles P-C4'-P energy: -22.869
tors. eta vs tors. theta energy: -42.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -467.739285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.739285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.739285 (E_RNA)
where:
Base-Base interactions energy: -282.032
where: short stacking energy: -140.293
Base-Backbone interact. energy: 0.021
local terms energy: -185.728594
where:
bonds (distance) C4'-P energy: -49.387
bonds (distance) P-C4' energy: -42.994
flat angles C4'-P-C4' energy: -35.483
flat angles P-C4'-P energy: -31.868
tors. eta vs tors. theta energy: -25.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -331.070815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.070815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.070815 (E_RNA)
where:
Base-Base interactions energy: -163.315
where: short stacking energy: -96.205
Base-Backbone interact. energy: 0.443
local terms energy: -168.198697
where:
bonds (distance) C4'-P energy: -50.751
bonds (distance) P-C4' energy: -52.631
flat angles C4'-P-C4' energy: -30.838
flat angles P-C4'-P energy: -17.740
tors. eta vs tors. theta energy: -16.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -309.572250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.572250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.572250 (E_RNA)
where:
Base-Base interactions energy: -142.493
where: short stacking energy: -80.047
Base-Backbone interact. energy: 0.900
local terms energy: -167.978839
where:
bonds (distance) C4'-P energy: -50.029
bonds (distance) P-C4' energy: -49.010
flat angles C4'-P-C4' energy: -35.302
flat angles P-C4'-P energy: -20.102
tors. eta vs tors. theta energy: -13.537
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: 1, replica: 4
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -910.945587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.945587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.945587 (E_RNA)
where:
Base-Base interactions energy: -629.809
where: short stacking energy: -268.118
Base-Backbone interact. energy: -1.341
local terms energy: -279.795413
where:
bonds (distance) C4'-P energy: -54.779
bonds (distance) P-C4' energy: -57.947
flat angles C4'-P-C4' energy: -53.586
flat angles P-C4'-P energy: -42.990
tors. eta vs tors. theta energy: -70.492
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: 2, replica: 3
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -894.769158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.769158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.769158 (E_RNA)
where:
Base-Base interactions energy: -612.280
where: short stacking energy: -261.169
Base-Backbone interact. energy: -1.763
local terms energy: -280.726157
where:
bonds (distance) C4'-P energy: -42.229
bonds (distance) P-C4' energy: -55.341
flat angles C4'-P-C4' energy: -59.637
flat angles P-C4'-P energy: -47.696
tors. eta vs tors. theta energy: -75.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -866.688415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.688415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.688415 (E_RNA)
where:
Base-Base interactions energy: -597.884
where: short stacking energy: -258.185
Base-Backbone interact. energy: -1.306
local terms energy: -267.499088
where:
bonds (distance) C4'-P energy: -51.047
bonds (distance) P-C4' energy: -59.372
flat angles C4'-P-C4' energy: -54.866
flat angles P-C4'-P energy: -36.988
tors. eta vs tors. theta energy: -65.226
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: 1
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -842.097533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.097533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.097533 (E_RNA)
where:
Base-Base interactions energy: -578.939
where: short stacking energy: -240.848
Base-Backbone interact. energy: -1.753
local terms energy: -261.406016
where:
bonds (distance) C4'-P energy: -51.068
bonds (distance) P-C4' energy: -56.752
flat angles C4'-P-C4' energy: -56.886
flat angles P-C4'-P energy: -37.405
tors. eta vs tors. theta energy: -59.294
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: 7
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -796.196014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.196014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.196014 (E_RNA)
where:
Base-Base interactions energy: -551.002
where: short stacking energy: -228.747
Base-Backbone interact. energy: 0.789
local terms energy: -245.982860
where:
bonds (distance) C4'-P energy: -39.612
bonds (distance) P-C4' energy: -47.225
flat angles C4'-P-C4' energy: -57.495
flat angles P-C4'-P energy: -35.980
tors. eta vs tors. theta energy: -65.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -697.242501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.242501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.242501 (E_RNA)
where:
Base-Base interactions energy: -470.495
where: short stacking energy: -192.527
Base-Backbone interact. energy: -1.623
local terms energy: -225.123989
where:
bonds (distance) C4'-P energy: -41.148
bonds (distance) P-C4' energy: -58.426
flat angles C4'-P-C4' energy: -44.284
flat angles P-C4'-P energy: -39.556
tors. eta vs tors. theta energy: -41.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -639.291393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.291393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.291393 (E_RNA)
where:
Base-Base interactions energy: -418.335
where: short stacking energy: -176.659
Base-Backbone interact. energy: -1.779
local terms energy: -219.176953
where:
bonds (distance) C4'-P energy: -45.560
bonds (distance) P-C4' energy: -48.502
flat angles C4'-P-C4' energy: -52.069
flat angles P-C4'-P energy: -32.506
tors. eta vs tors. theta energy: -40.539
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: 2
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -465.925080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.925080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.925080 (E_RNA)
where:
Base-Base interactions energy: -274.802
where: short stacking energy: -135.187
Base-Backbone interact. energy: 0.060
local terms energy: -191.183796
where:
bonds (distance) C4'-P energy: -44.566
bonds (distance) P-C4' energy: -48.362
flat angles C4'-P-C4' energy: -55.416
flat angles P-C4'-P energy: -18.710
tors. eta vs tors. theta energy: -24.130
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: 10
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -293.029981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.029981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.029981 (E_RNA)
where:
Base-Base interactions energy: -140.692
where: short stacking energy: -91.496
Base-Backbone interact. energy: -0.119
local terms energy: -152.218753
where:
bonds (distance) C4'-P energy: -37.847
bonds (distance) P-C4' energy: -46.127
flat angles C4'-P-C4' energy: -41.652
flat angles P-C4'-P energy: -15.148
tors. eta vs tors. theta energy: -11.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -281.315513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.315513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.315513 (E_RNA)
where:
Base-Base interactions energy: -117.684
where: short stacking energy: -77.038
Base-Backbone interact. energy: 0.649
local terms energy: -164.280516
where:
bonds (distance) C4'-P energy: -42.818
bonds (distance) P-C4' energy: -50.305
flat angles C4'-P-C4' energy: -45.131
flat angles P-C4'-P energy: -34.573
tors. eta vs tors. theta energy: 8.547
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: 1, replica: 4
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -915.661391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.661391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.661391 (E_RNA)
where:
Base-Base interactions energy: -635.939
where: short stacking energy: -267.041
Base-Backbone interact. energy: -2.409
local terms energy: -277.313085
where:
bonds (distance) C4'-P energy: -52.803
bonds (distance) P-C4' energy: -42.242
flat angles C4'-P-C4' energy: -62.679
flat angles P-C4'-P energy: -46.562
tors. eta vs tors. theta energy: -73.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -879.267306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.267306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.267306 (E_RNA)
where:
Base-Base interactions energy: -604.114
where: short stacking energy: -257.444
Base-Backbone interact. energy: 3.198
local terms energy: -278.350735
where:
bonds (distance) C4'-P energy: -48.320
bonds (distance) P-C4' energy: -53.065
flat angles C4'-P-C4' energy: -60.700
flat angles P-C4'-P energy: -42.873
tors. eta vs tors. theta energy: -73.392
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: 5
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -850.524781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.524781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.524781 (E_RNA)
where:
Base-Base interactions energy: -587.904
where: short stacking energy: -263.475
Base-Backbone interact. energy: -1.973
local terms energy: -260.647549
where:
bonds (distance) C4'-P energy: -57.974
bonds (distance) P-C4' energy: -51.583
flat angles C4'-P-C4' energy: -55.995
flat angles P-C4'-P energy: -30.465
tors. eta vs tors. theta energy: -64.630
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: 1
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -858.393830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.393830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.393830 (E_RNA)
where:
Base-Base interactions energy: -586.286
where: short stacking energy: -254.383
Base-Backbone interact. energy: 0.572
local terms energy: -272.680507
where:
bonds (distance) C4'-P energy: -49.823
bonds (distance) P-C4' energy: -51.771
flat angles C4'-P-C4' energy: -55.331
flat angles P-C4'-P energy: -42.451
tors. eta vs tors. theta energy: -73.305
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: 5, replica: 7
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -802.556141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.556141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.556141 (E_RNA)
where:
Base-Base interactions energy: -560.970
where: short stacking energy: -230.445
Base-Backbone interact. energy: -1.161
local terms energy: -240.425291
where:
bonds (distance) C4'-P energy: -51.822
bonds (distance) P-C4' energy: -42.185
flat angles C4'-P-C4' energy: -50.650
flat angles P-C4'-P energy: -37.171
tors. eta vs tors. theta energy: -58.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -695.061455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.061455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.061455 (E_RNA)
where:
Base-Base interactions energy: -490.456
where: short stacking energy: -202.374
Base-Backbone interact. energy: 3.880
local terms energy: -208.485434
where:
bonds (distance) C4'-P energy: -44.693
bonds (distance) P-C4' energy: -39.152
flat angles C4'-P-C4' energy: -39.272
flat angles P-C4'-P energy: -39.719
tors. eta vs tors. theta energy: -45.649
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: 8
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -649.215328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.215328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.215328 (E_RNA)
where:
Base-Base interactions energy: -438.769
where: short stacking energy: -180.738
Base-Backbone interact. energy: -0.522
local terms energy: -209.924372
where:
bonds (distance) C4'-P energy: -48.733
bonds (distance) P-C4' energy: -52.274
flat angles C4'-P-C4' energy: -42.176
flat angles P-C4'-P energy: -31.785
tors. eta vs tors. theta energy: -34.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -478.933739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.933739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.933739 (E_RNA)
where:
Base-Base interactions energy: -291.464
where: short stacking energy: -151.491
Base-Backbone interact. energy: 0.920
local terms energy: -188.390162
where:
bonds (distance) C4'-P energy: -38.366
bonds (distance) P-C4' energy: -46.988
flat angles C4'-P-C4' energy: -47.665
flat angles P-C4'-P energy: -19.713
tors. eta vs tors. theta energy: -35.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -342.618620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.618620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.618620 (E_RNA)
where:
Base-Base interactions energy: -174.090
where: short stacking energy: -101.404
Base-Backbone interact. energy: 0.491
local terms energy: -169.020121
where:
bonds (distance) C4'-P energy: -44.501
bonds (distance) P-C4' energy: -47.829
flat angles C4'-P-C4' energy: -43.997
flat angles P-C4'-P energy: -21.198
tors. eta vs tors. theta energy: -11.495
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: 9
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -266.433210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.433210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.433210 (E_RNA)
where:
Base-Base interactions energy: -122.211
where: short stacking energy: -77.733
Base-Backbone interact. energy: -1.453
local terms energy: -142.769394
where:
bonds (distance) C4'-P energy: -41.922
bonds (distance) P-C4' energy: -37.402
flat angles C4'-P-C4' energy: -34.738
flat angles P-C4'-P energy: -24.141
tors. eta vs tors. theta energy: -4.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -895.637957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.637957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.637957 (E_RNA)
where:
Base-Base interactions energy: -615.782
where: short stacking energy: -254.481
Base-Backbone interact. energy: -2.090
local terms energy: -277.766189
where:
bonds (distance) C4'-P energy: -47.847
bonds (distance) P-C4' energy: -52.421
flat angles C4'-P-C4' energy: -62.568
flat angles P-C4'-P energy: -46.147
tors. eta vs tors. theta energy: -68.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -898.884188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.884188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.884188 (E_RNA)
where:
Base-Base interactions energy: -613.587
where: short stacking energy: -273.402
Base-Backbone interact. energy: -0.556
local terms energy: -284.741022
where:
bonds (distance) C4'-P energy: -48.568
bonds (distance) P-C4' energy: -60.159
flat angles C4'-P-C4' energy: -58.170
flat angles P-C4'-P energy: -39.266
tors. eta vs tors. theta energy: -78.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -870.170421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.170421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.170421 (E_RNA)
where:
Base-Base interactions energy: -602.245
where: short stacking energy: -251.135
Base-Backbone interact. energy: -0.050
local terms energy: -267.875982
where:
bonds (distance) C4'-P energy: -53.487
bonds (distance) P-C4' energy: -47.243
flat angles C4'-P-C4' energy: -58.907
flat angles P-C4'-P energy: -47.130
tors. eta vs tors. theta energy: -61.109
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: 5
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -846.470554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.470554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.470554 (E_RNA)
where:
Base-Base interactions energy: -587.136
where: short stacking energy: -261.799
Base-Backbone interact. energy: -0.954
local terms energy: -258.380525
where:
bonds (distance) C4'-P energy: -46.988
bonds (distance) P-C4' energy: -52.423
flat angles C4'-P-C4' energy: -59.690
flat angles P-C4'-P energy: -32.500
tors. eta vs tors. theta energy: -66.779
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: 7
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -788.387824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.387824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.387824 (E_RNA)
where:
Base-Base interactions energy: -526.368
where: short stacking energy: -222.063
Base-Backbone interact. energy: -0.196
local terms energy: -261.823915
where:
bonds (distance) C4'-P energy: -52.344
bonds (distance) P-C4' energy: -58.799
flat angles C4'-P-C4' energy: -54.077
flat angles P-C4'-P energy: -43.751
tors. eta vs tors. theta energy: -52.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -672.838194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.838194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.838194 (E_RNA)
where:
Base-Base interactions energy: -465.946
where: short stacking energy: -207.147
Base-Backbone interact. energy: 3.821
local terms energy: -210.713268
where:
bonds (distance) C4'-P energy: -44.084
bonds (distance) P-C4' energy: -48.696
flat angles C4'-P-C4' energy: -43.575
flat angles P-C4'-P energy: -32.417
tors. eta vs tors. theta energy: -41.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -641.444397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.444397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.444397 (E_RNA)
where:
Base-Base interactions energy: -442.247
where: short stacking energy: -188.771
Base-Backbone interact. energy: -0.829
local terms energy: -198.369362
where:
bonds (distance) C4'-P energy: -30.442
bonds (distance) P-C4' energy: -45.833
flat angles C4'-P-C4' energy: -52.467
flat angles P-C4'-P energy: -26.352
tors. eta vs tors. theta energy: -43.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -484.762824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.762824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.762824 (E_RNA)
where:
Base-Base interactions energy: -289.563
where: short stacking energy: -149.344
Base-Backbone interact. energy: -0.291
local terms energy: -194.908948
where:
bonds (distance) C4'-P energy: -43.338
bonds (distance) P-C4' energy: -50.922
flat angles C4'-P-C4' energy: -42.126
flat angles P-C4'-P energy: -30.279
tors. eta vs tors. theta energy: -28.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -332.394825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.394825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.394825 (E_RNA)
where:
Base-Base interactions energy: -168.939
where: short stacking energy: -98.150
Base-Backbone interact. energy: -0.479
local terms energy: -162.977073
where:
bonds (distance) C4'-P energy: -39.164
bonds (distance) P-C4' energy: -58.568
flat angles C4'-P-C4' energy: -39.435
flat angles P-C4'-P energy: -22.489
tors. eta vs tors. theta energy: -3.323
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: 9
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -238.626075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.626075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.626075 (E_RNA)
where:
Base-Base interactions energy: -88.951
where: short stacking energy: -67.533
Base-Backbone interact. energy: 0.091
local terms energy: -149.766011
where:
bonds (distance) C4'-P energy: -51.894
bonds (distance) P-C4' energy: -50.529
flat angles C4'-P-C4' energy: -28.255
flat angles P-C4'-P energy: -23.418
tors. eta vs tors. theta energy: 4.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -905.513291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.513291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.513291 (E_RNA)
where:
Base-Base interactions energy: -617.376
where: short stacking energy: -269.987
Base-Backbone interact. energy: -1.571
local terms energy: -286.566996
where:
bonds (distance) C4'-P energy: -54.602
bonds (distance) P-C4' energy: -50.719
flat angles C4'-P-C4' energy: -57.847
flat angles P-C4'-P energy: -48.595
tors. eta vs tors. theta energy: -74.804
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: 1
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -872.429214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.429214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.429214 (E_RNA)
where:
Base-Base interactions energy: -604.010
where: short stacking energy: -254.446
Base-Backbone interact. energy: -0.564
local terms energy: -267.855305
where:
bonds (distance) C4'-P energy: -52.445
bonds (distance) P-C4' energy: -55.064
flat angles C4'-P-C4' energy: -59.638
flat angles P-C4'-P energy: -33.152
tors. eta vs tors. theta energy: -67.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -872.557392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.557392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.557392 (E_RNA)
where:
Base-Base interactions energy: -616.850
where: short stacking energy: -260.334
Base-Backbone interact. energy: -2.571
local terms energy: -253.136741
where:
bonds (distance) C4'-P energy: -46.752
bonds (distance) P-C4' energy: -49.688
flat angles C4'-P-C4' energy: -46.048
flat angles P-C4'-P energy: -37.664
tors. eta vs tors. theta energy: -72.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -817.114878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.114878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.114878 (E_RNA)
where:
Base-Base interactions energy: -576.669
where: short stacking energy: -231.386
Base-Backbone interact. energy: -1.179
local terms energy: -239.266873
where:
bonds (distance) C4'-P energy: -42.067
bonds (distance) P-C4' energy: -46.523
flat angles C4'-P-C4' energy: -61.175
flat angles P-C4'-P energy: -31.527
tors. eta vs tors. theta energy: -57.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -809.468861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.468861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.468861 (E_RNA)
where:
Base-Base interactions energy: -576.488
where: short stacking energy: -248.276
Base-Backbone interact. energy: -1.944
local terms energy: -231.037435
where:
bonds (distance) C4'-P energy: -44.021
bonds (distance) P-C4' energy: -36.978
flat angles C4'-P-C4' energy: -51.030
flat angles P-C4'-P energy: -31.702
tors. eta vs tors. theta energy: -67.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -720.907394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.907394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.907394 (E_RNA)
where:
Base-Base interactions energy: -504.469
where: short stacking energy: -202.265
Base-Backbone interact. energy: 2.039
local terms energy: -218.477468
where:
bonds (distance) C4'-P energy: -48.727
bonds (distance) P-C4' energy: -48.769
flat angles C4'-P-C4' energy: -47.498
flat angles P-C4'-P energy: -31.401
tors. eta vs tors. theta energy: -42.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -645.030566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.030566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.030566 (E_RNA)
where:
Base-Base interactions energy: -410.529
where: short stacking energy: -192.045
Base-Backbone interact. energy: -1.218
local terms energy: -233.283196
where:
bonds (distance) C4'-P energy: -50.371
bonds (distance) P-C4' energy: -55.223
flat angles C4'-P-C4' energy: -50.243
flat angles P-C4'-P energy: -31.073
tors. eta vs tors. theta energy: -46.373
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: 8, replica: 2
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -492.523234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.523234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.523234 (E_RNA)
where:
Base-Base interactions energy: -295.047
where: short stacking energy: -137.606
Base-Backbone interact. energy: -1.932
local terms energy: -195.544147
where:
bonds (distance) C4'-P energy: -55.451
bonds (distance) P-C4' energy: -48.209
flat angles C4'-P-C4' energy: -37.923
flat angles P-C4'-P energy: -33.126
tors. eta vs tors. theta energy: -20.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -318.348329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.348329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.348329 (E_RNA)
where:
Base-Base interactions energy: -158.474
where: short stacking energy: -92.611
Base-Backbone interact. energy: 0.203
local terms energy: -160.077828
where:
bonds (distance) C4'-P energy: -51.580
bonds (distance) P-C4' energy: -46.989
flat angles C4'-P-C4' energy: -32.001
flat angles P-C4'-P energy: -26.588
tors. eta vs tors. theta energy: -2.920
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: 10, replica: 9
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -214.677369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.677369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.677369 (E_RNA)
where:
Base-Base interactions energy: -84.175
where: short stacking energy: -64.071
Base-Backbone interact. energy: 2.267
local terms energy: -132.768921
where:
bonds (distance) C4'-P energy: -40.458
bonds (distance) P-C4' energy: -47.626
flat angles C4'-P-C4' energy: -24.068
flat angles P-C4'-P energy: -28.398
tors. eta vs tors. theta energy: 7.781
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: 4
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -902.811611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.811611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.811611 (E_RNA)
where:
Base-Base interactions energy: -622.546
where: short stacking energy: -252.651
Base-Backbone interact. energy: -1.436
local terms energy: -278.829807
where:
bonds (distance) C4'-P energy: -47.484
bonds (distance) P-C4' energy: -52.088
flat angles C4'-P-C4' energy: -59.790
flat angles P-C4'-P energy: -44.385
tors. eta vs tors. theta energy: -75.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -869.035260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.035260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.035260 (E_RNA)
where:
Base-Base interactions energy: -597.612
where: short stacking energy: -259.510
Base-Backbone interact. energy: -0.266
local terms energy: -271.156958
where:
bonds (distance) C4'-P energy: -46.101
bonds (distance) P-C4' energy: -57.942
flat angles C4'-P-C4' energy: -54.344
flat angles P-C4'-P energy: -44.540
tors. eta vs tors. theta energy: -68.230
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: 3
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -859.440546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.440546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.440546 (E_RNA)
where:
Base-Base interactions energy: -592.169
where: short stacking energy: -251.649
Base-Backbone interact. energy: 1.176
local terms energy: -268.447639
where:
bonds (distance) C4'-P energy: -51.103
bonds (distance) P-C4' energy: -48.438
flat angles C4'-P-C4' energy: -61.762
flat angles P-C4'-P energy: -36.822
tors. eta vs tors. theta energy: -70.322
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: 7
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -807.403928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.403928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.403928 (E_RNA)
where:
Base-Base interactions energy: -548.900
where: short stacking energy: -236.811
Base-Backbone interact. energy: 0.789
local terms energy: -259.293084
where:
bonds (distance) C4'-P energy: -53.326
bonds (distance) P-C4' energy: -44.866
flat angles C4'-P-C4' energy: -49.552
flat angles P-C4'-P energy: -44.434
tors. eta vs tors. theta energy: -67.115
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: 5
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -798.543437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.543437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.543437 (E_RNA)
where:
Base-Base interactions energy: -552.934
where: short stacking energy: -220.965
Base-Backbone interact. energy: -0.813
local terms energy: -244.796338
where:
bonds (distance) C4'-P energy: -49.361
bonds (distance) P-C4' energy: -45.446
flat angles C4'-P-C4' energy: -56.133
flat angles P-C4'-P energy: -37.442
tors. eta vs tors. theta energy: -56.414
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: 6
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -698.933461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.933461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.933461 (E_RNA)
where:
Base-Base interactions energy: -463.185
where: short stacking energy: -202.431
Base-Backbone interact. energy: 1.617
local terms energy: -237.365263
where:
bonds (distance) C4'-P energy: -50.056
bonds (distance) P-C4' energy: -46.022
flat angles C4'-P-C4' energy: -55.608
flat angles P-C4'-P energy: -31.263
tors. eta vs tors. theta energy: -54.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -649.533732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.533732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.533732 (E_RNA)
where:
Base-Base interactions energy: -428.585
where: short stacking energy: -165.555
Base-Backbone interact. energy: -1.483
local terms energy: -219.465587
where:
bonds (distance) C4'-P energy: -36.963
bonds (distance) P-C4' energy: -50.583
flat angles C4'-P-C4' energy: -53.758
flat angles P-C4'-P energy: -35.417
tors. eta vs tors. theta energy: -42.744
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: 2
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -489.313288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.313288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.313288 (E_RNA)
where:
Base-Base interactions energy: -302.099
where: short stacking energy: -133.670
Base-Backbone interact. energy: 0.069
local terms energy: -187.283550
where:
bonds (distance) C4'-P energy: -39.172
bonds (distance) P-C4' energy: -53.402
flat angles C4'-P-C4' energy: -41.977
flat angles P-C4'-P energy: -30.081
tors. eta vs tors. theta energy: -22.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -325.200878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.200878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.200878 (E_RNA)
where:
Base-Base interactions energy: -148.577
where: short stacking energy: -77.955
Base-Backbone interact. energy: -1.638
local terms energy: -174.985874
where:
bonds (distance) C4'-P energy: -46.502
bonds (distance) P-C4' energy: -51.239
flat angles C4'-P-C4' energy: -47.091
flat angles P-C4'-P energy: -32.828
tors. eta vs tors. theta energy: 2.674
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: 10, replica: 9
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -237.887179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.887179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.887179 (E_RNA)
where:
Base-Base interactions energy: -99.440
where: short stacking energy: -62.672
Base-Backbone interact. energy: 5.136
local terms energy: -143.583954
where:
bonds (distance) C4'-P energy: -37.703
bonds (distance) P-C4' energy: -40.688
flat angles C4'-P-C4' energy: -47.221
flat angles P-C4'-P energy: -23.854
tors. eta vs tors. theta energy: 5.883
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: 4
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -896.172488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.172488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.172488 (E_RNA)
where:
Base-Base interactions energy: -613.801
where: short stacking energy: -267.153
Base-Backbone interact. energy: -0.928
local terms energy: -281.443657
where:
bonds (distance) C4'-P energy: -47.077
bonds (distance) P-C4' energy: -47.216
flat angles C4'-P-C4' energy: -62.868
flat angles P-C4'-P energy: -47.528
tors. eta vs tors. theta energy: -76.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -890.988429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.988429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.988429 (E_RNA)
where:
Base-Base interactions energy: -631.854
where: short stacking energy: -268.768
Base-Backbone interact. energy: -1.853
local terms energy: -257.280855
where:
bonds (distance) C4'-P energy: -46.982
bonds (distance) P-C4' energy: -50.930
flat angles C4'-P-C4' energy: -56.474
flat angles P-C4'-P energy: -40.832
tors. eta vs tors. theta energy: -62.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -873.863930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.863930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.863930 (E_RNA)
where:
Base-Base interactions energy: -608.671
where: short stacking energy: -255.755
Base-Backbone interact. energy: 1.526
local terms energy: -266.719748
where:
bonds (distance) C4'-P energy: -48.390
bonds (distance) P-C4' energy: -51.111
flat angles C4'-P-C4' energy: -60.308
flat angles P-C4'-P energy: -39.127
tors. eta vs tors. theta energy: -67.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -811.314044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.314044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.314044 (E_RNA)
where:
Base-Base interactions energy: -559.735
where: short stacking energy: -237.338
Base-Backbone interact. energy: -0.502
local terms energy: -251.077193
where:
bonds (distance) C4'-P energy: -45.059
bonds (distance) P-C4' energy: -50.717
flat angles C4'-P-C4' energy: -63.276
flat angles P-C4'-P energy: -27.747
tors. eta vs tors. theta energy: -64.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -785.368649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.368649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.368649 (E_RNA)
where:
Base-Base interactions energy: -551.513
where: short stacking energy: -227.002
Base-Backbone interact. energy: -0.002
local terms energy: -233.853996
where:
bonds (distance) C4'-P energy: -47.562
bonds (distance) P-C4' energy: -47.561
flat angles C4'-P-C4' energy: -49.440
flat angles P-C4'-P energy: -34.741
tors. eta vs tors. theta energy: -54.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -701.781814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.781814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.781814 (E_RNA)
where:
Base-Base interactions energy: -474.011
where: short stacking energy: -194.635
Base-Backbone interact. energy: -2.664
local terms energy: -225.106719
where:
bonds (distance) C4'-P energy: -46.278
bonds (distance) P-C4' energy: -51.839
flat angles C4'-P-C4' energy: -45.313
flat angles P-C4'-P energy: -29.485
tors. eta vs tors. theta energy: -52.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -627.921146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.921146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.921146 (E_RNA)
where:
Base-Base interactions energy: -425.299
where: short stacking energy: -176.511
Base-Backbone interact. energy: -0.065
local terms energy: -202.556313
where:
bonds (distance) C4'-P energy: -46.915
bonds (distance) P-C4' energy: -47.757
flat angles C4'-P-C4' energy: -44.333
flat angles P-C4'-P energy: -37.161
tors. eta vs tors. theta energy: -26.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -457.155137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.155137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.155137 (E_RNA)
where:
Base-Base interactions energy: -272.036
where: short stacking energy: -143.667
Base-Backbone interact. energy: 0.866
local terms energy: -185.985499
where:
bonds (distance) C4'-P energy: -41.268
bonds (distance) P-C4' energy: -41.135
flat angles C4'-P-C4' energy: -50.117
flat angles P-C4'-P energy: -23.124
tors. eta vs tors. theta energy: -30.342
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: 10
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -313.546000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.546000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.546000 (E_RNA)
where:
Base-Base interactions energy: -165.348
where: short stacking energy: -92.209
Base-Backbone interact. energy: -1.080
local terms energy: -147.118426
where:
bonds (distance) C4'-P energy: -44.907
bonds (distance) P-C4' energy: -40.600
flat angles C4'-P-C4' energy: -32.038
flat angles P-C4'-P energy: -31.317
tors. eta vs tors. theta energy: 1.743
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: 9
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -265.950185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.950185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.950185 (E_RNA)
where:
Base-Base interactions energy: -112.782
where: short stacking energy: -89.991
Base-Backbone interact. energy: -0.572
local terms energy: -152.596593
where:
bonds (distance) C4'-P energy: -40.504
bonds (distance) P-C4' energy: -44.607
flat angles C4'-P-C4' energy: -39.854
flat angles P-C4'-P energy: -17.738
tors. eta vs tors. theta energy: -9.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -896.214049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.214049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.214049 (E_RNA)
where:
Base-Base interactions energy: -610.196
where: short stacking energy: -266.334
Base-Backbone interact. energy: 0.686
local terms energy: -286.704832
where:
bonds (distance) C4'-P energy: -61.009
bonds (distance) P-C4' energy: -57.174
flat angles C4'-P-C4' energy: -60.262
flat angles P-C4'-P energy: -40.749
tors. eta vs tors. theta energy: -67.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -880.602657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.602657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.602657 (E_RNA)
where:
Base-Base interactions energy: -599.816
where: short stacking energy: -252.877
Base-Backbone interact. energy: -0.719
local terms energy: -280.068113
where:
bonds (distance) C4'-P energy: -50.335
bonds (distance) P-C4' energy: -60.789
flat angles C4'-P-C4' energy: -61.540
flat angles P-C4'-P energy: -35.616
tors. eta vs tors. theta energy: -71.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -876.061087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.061087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.061087 (E_RNA)
where:
Base-Base interactions energy: -605.128
where: short stacking energy: -262.788
Base-Backbone interact. energy: -2.020
local terms energy: -268.913473
where:
bonds (distance) C4'-P energy: -38.606
bonds (distance) P-C4' energy: -52.575
flat angles C4'-P-C4' energy: -62.270
flat angles P-C4'-P energy: -42.778
tors. eta vs tors. theta energy: -72.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -839.579582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.579582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.579582 (E_RNA)
where:
Base-Base interactions energy: -578.299
where: short stacking energy: -254.981
Base-Backbone interact. energy: -1.196
local terms energy: -260.084225
where:
bonds (distance) C4'-P energy: -43.317
bonds (distance) P-C4' energy: -55.821
flat angles C4'-P-C4' energy: -56.968
flat angles P-C4'-P energy: -33.222
tors. eta vs tors. theta energy: -70.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -805.613889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.613889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.613889 (E_RNA)
where:
Base-Base interactions energy: -568.585
where: short stacking energy: -233.221
Base-Backbone interact. energy: -1.026
local terms energy: -236.002959
where:
bonds (distance) C4'-P energy: -44.782
bonds (distance) P-C4' energy: -47.219
flat angles C4'-P-C4' energy: -48.161
flat angles P-C4'-P energy: -33.495
tors. eta vs tors. theta energy: -62.346
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: 6, replica: 6
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -729.043082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.043082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.043082 (E_RNA)
where:
Base-Base interactions energy: -492.220
where: short stacking energy: -208.551
Base-Backbone interact. energy: -1.961
local terms energy: -234.862118
where:
bonds (distance) C4'-P energy: -45.470
bonds (distance) P-C4' energy: -51.568
flat angles C4'-P-C4' energy: -55.341
flat angles P-C4'-P energy: -28.393
tors. eta vs tors. theta energy: -54.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -611.835445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.835445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.835445 (E_RNA)
where:
Base-Base interactions energy: -405.525
where: short stacking energy: -183.363
Base-Backbone interact. energy: -0.232
local terms energy: -206.078243
where:
bonds (distance) C4'-P energy: -45.550
bonds (distance) P-C4' energy: -42.733
flat angles C4'-P-C4' energy: -44.083
flat angles P-C4'-P energy: -34.017
tors. eta vs tors. theta energy: -39.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -458.166385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.166385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.166385 (E_RNA)
where:
Base-Base interactions energy: -276.654
where: short stacking energy: -141.376
Base-Backbone interact. energy: -0.264
local terms energy: -181.248406
where:
bonds (distance) C4'-P energy: -46.415
bonds (distance) P-C4' energy: -40.066
flat angles C4'-P-C4' energy: -45.802
flat angles P-C4'-P energy: -27.309
tors. eta vs tors. theta energy: -21.655
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: 10
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -331.777153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.777153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.777153 (E_RNA)
where:
Base-Base interactions energy: -179.457
where: short stacking energy: -87.169
Base-Backbone interact. energy: 1.255
local terms energy: -153.575250
where:
bonds (distance) C4'-P energy: -38.442
bonds (distance) P-C4' energy: -25.415
flat angles C4'-P-C4' energy: -48.003
flat angles P-C4'-P energy: -28.442
tors. eta vs tors. theta energy: -13.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -225.594527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.594527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.594527 (E_RNA)
where:
Base-Base interactions energy: -94.660
where: short stacking energy: -74.115
Base-Backbone interact. energy: -0.526
local terms energy: -130.408076
where:
bonds (distance) C4'-P energy: -28.006
bonds (distance) P-C4' energy: -44.038
flat angles C4'-P-C4' energy: -51.350
flat angles P-C4'-P energy: -18.740
tors. eta vs tors. theta energy: 11.726
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: 1
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -922.249718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.249718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.249718 (E_RNA)
where:
Base-Base interactions energy: -638.419
where: short stacking energy: -276.485
Base-Backbone interact. energy: -1.101
local terms energy: -282.729960
where:
bonds (distance) C4'-P energy: -53.403
bonds (distance) P-C4' energy: -49.960
flat angles C4'-P-C4' energy: -63.528
flat angles P-C4'-P energy: -43.969
tors. eta vs tors. theta energy: -71.870
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: 3
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -886.990340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.990340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.990340 (E_RNA)
where:
Base-Base interactions energy: -606.443
where: short stacking energy: -268.302
Base-Backbone interact. energy: -0.939
local terms energy: -279.608699
where:
bonds (distance) C4'-P energy: -49.004
bonds (distance) P-C4' energy: -48.665
flat angles C4'-P-C4' energy: -63.592
flat angles P-C4'-P energy: -43.037
tors. eta vs tors. theta energy: -75.310
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: 321
Temperature: 1.000000
Total energy: -861.839765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.839765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.839765 (E_RNA)
where:
Base-Base interactions energy: -611.955
where: short stacking energy: -249.863
Base-Backbone interact. energy: -0.455
local terms energy: -249.429998
where:
bonds (distance) C4'-P energy: -49.314
bonds (distance) P-C4' energy: -42.875
flat angles C4'-P-C4' energy: -55.967
flat angles P-C4'-P energy: -29.408
tors. eta vs tors. theta energy: -71.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -836.132792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.132792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.132792 (E_RNA)
where:
Base-Base interactions energy: -574.943
where: short stacking energy: -261.972
Base-Backbone interact. energy: -2.152
local terms energy: -259.038050
where:
bonds (distance) C4'-P energy: -46.151
bonds (distance) P-C4' energy: -44.492
flat angles C4'-P-C4' energy: -60.272
flat angles P-C4'-P energy: -32.019
tors. eta vs tors. theta energy: -76.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -775.046532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.046532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.046532 (E_RNA)
where:
Base-Base interactions energy: -541.270
where: short stacking energy: -217.547
Base-Backbone interact. energy: -0.341
local terms energy: -233.435614
where:
bonds (distance) C4'-P energy: -53.770
bonds (distance) P-C4' energy: -47.405
flat angles C4'-P-C4' energy: -52.810
flat angles P-C4'-P energy: -29.985
tors. eta vs tors. theta energy: -49.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -721.179315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.179315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.179315 (E_RNA)
where:
Base-Base interactions energy: -491.622
where: short stacking energy: -191.695
Base-Backbone interact. energy: -0.873
local terms energy: -228.683961
where:
bonds (distance) C4'-P energy: -38.264
bonds (distance) P-C4' energy: -53.394
flat angles C4'-P-C4' energy: -53.447
flat angles P-C4'-P energy: -37.429
tors. eta vs tors. theta energy: -46.150
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: 8
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -630.368571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.368571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.368571 (E_RNA)
where:
Base-Base interactions energy: -439.690
where: short stacking energy: -191.734
Base-Backbone interact. energy: -0.857
local terms energy: -189.821876
where:
bonds (distance) C4'-P energy: -33.838
bonds (distance) P-C4' energy: -36.611
flat angles C4'-P-C4' energy: -43.943
flat angles P-C4'-P energy: -31.684
tors. eta vs tors. theta energy: -43.746
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: 2
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -482.290210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.290210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.290210 (E_RNA)
where:
Base-Base interactions energy: -287.852
where: short stacking energy: -134.975
Base-Backbone interact. energy: -0.663
local terms energy: -193.775118
where:
bonds (distance) C4'-P energy: -44.145
bonds (distance) P-C4' energy: -56.618
flat angles C4'-P-C4' energy: -44.062
flat angles P-C4'-P energy: -25.766
tors. eta vs tors. theta energy: -23.184
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: 10
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -337.449900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.449900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.449900 (E_RNA)
where:
Base-Base interactions energy: -177.491
where: short stacking energy: -81.165
Base-Backbone interact. energy: 2.873
local terms energy: -162.832445
where:
bonds (distance) C4'-P energy: -46.330
bonds (distance) P-C4' energy: -46.688
flat angles C4'-P-C4' energy: -41.517
flat angles P-C4'-P energy: -19.187
tors. eta vs tors. theta energy: -9.111
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: 9
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -215.078885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.078885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.078885 (E_RNA)
where:
Base-Base interactions energy: -68.299
where: short stacking energy: -59.724
Base-Backbone interact. energy: -0.056
local terms energy: -146.724302
where:
bonds (distance) C4'-P energy: -45.597
bonds (distance) P-C4' energy: -51.623
flat angles C4'-P-C4' energy: -40.334
flat angles P-C4'-P energy: -15.738
tors. eta vs tors. theta energy: 6.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -911.061409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.061409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.061409 (E_RNA)
where:
Base-Base interactions energy: -627.631
where: short stacking energy: -284.546
Base-Backbone interact. energy: -0.733
local terms energy: -282.698165
where:
bonds (distance) C4'-P energy: -49.811
bonds (distance) P-C4' energy: -56.068
flat angles C4'-P-C4' energy: -59.176
flat angles P-C4'-P energy: -39.861
tors. eta vs tors. theta energy: -77.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -891.310793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.310793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.310793 (E_RNA)
where:
Base-Base interactions energy: -605.389
where: short stacking energy: -258.785
Base-Backbone interact. energy: -0.917
local terms energy: -285.004124
where:
bonds (distance) C4'-P energy: -51.712
bonds (distance) P-C4' energy: -63.264
flat angles C4'-P-C4' energy: -60.148
flat angles P-C4'-P energy: -40.597
tors. eta vs tors. theta energy: -69.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -868.696768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.696768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.696768 (E_RNA)
where:
Base-Base interactions energy: -601.922
where: short stacking energy: -250.052
Base-Backbone interact. energy: -1.637
local terms energy: -265.137410
where:
bonds (distance) C4'-P energy: -44.053
bonds (distance) P-C4' energy: -50.292
flat angles C4'-P-C4' energy: -59.634
flat angles P-C4'-P energy: -48.235
tors. eta vs tors. theta energy: -62.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -823.654543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.654543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.654543 (E_RNA)
where:
Base-Base interactions energy: -569.114
where: short stacking energy: -236.931
Base-Backbone interact. energy: -0.526
local terms energy: -254.014463
where:
bonds (distance) C4'-P energy: -40.448
bonds (distance) P-C4' energy: -55.944
flat angles C4'-P-C4' energy: -57.927
flat angles P-C4'-P energy: -36.604
tors. eta vs tors. theta energy: -63.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -797.403348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.403348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.403348 (E_RNA)
where:
Base-Base interactions energy: -543.858
where: short stacking energy: -232.604
Base-Backbone interact. energy: -1.654
local terms energy: -251.891269
where:
bonds (distance) C4'-P energy: -55.562
bonds (distance) P-C4' energy: -51.438
flat angles C4'-P-C4' energy: -55.057
flat angles P-C4'-P energy: -30.817
tors. eta vs tors. theta energy: -59.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -693.805154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.805154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.805154 (E_RNA)
where:
Base-Base interactions energy: -467.317
where: short stacking energy: -197.691
Base-Backbone interact. energy: -1.269
local terms energy: -225.219133
where:
bonds (distance) C4'-P energy: -43.776
bonds (distance) P-C4' energy: -49.200
flat angles C4'-P-C4' energy: -46.803
flat angles P-C4'-P energy: -33.462
tors. eta vs tors. theta energy: -51.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -613.448164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.448164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.448164 (E_RNA)
where:
Base-Base interactions energy: -412.771
where: short stacking energy: -178.329
Base-Backbone interact. energy: -1.224
local terms energy: -199.453809
where:
bonds (distance) C4'-P energy: -40.824
bonds (distance) P-C4' energy: -46.347
flat angles C4'-P-C4' energy: -40.565
flat angles P-C4'-P energy: -27.574
tors. eta vs tors. theta energy: -44.142
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: 2
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -477.572667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.572667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.572667 (E_RNA)
where:
Base-Base interactions energy: -275.350
where: short stacking energy: -154.134
Base-Backbone interact. energy: 0.836
local terms energy: -203.058665
where:
bonds (distance) C4'-P energy: -47.390
bonds (distance) P-C4' energy: -45.781
flat angles C4'-P-C4' energy: -41.147
flat angles P-C4'-P energy: -26.784
tors. eta vs tors. theta energy: -41.956
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: 10
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -338.784098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.784098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.784098 (E_RNA)
where:
Base-Base interactions energy: -183.268
where: short stacking energy: -104.655
Base-Backbone interact. energy: -0.083
local terms energy: -155.432558
where:
bonds (distance) C4'-P energy: -43.013
bonds (distance) P-C4' energy: -36.027
flat angles C4'-P-C4' energy: -42.730
flat angles P-C4'-P energy: -27.798
tors. eta vs tors. theta energy: -5.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -223.674726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.674726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.674726 (E_RNA)
where:
Base-Base interactions energy: -81.540
where: short stacking energy: -70.287
Base-Backbone interact. energy: -1.182
local terms energy: -140.952917
where:
bonds (distance) C4'-P energy: -39.255
bonds (distance) P-C4' energy: -40.691
flat angles C4'-P-C4' energy: -36.285
flat angles P-C4'-P energy: -23.500
tors. eta vs tors. theta energy: -1.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -922.102121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.102121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.102121 (E_RNA)
where:
Base-Base interactions energy: -636.248
where: short stacking energy: -291.229
Base-Backbone interact. energy: -1.566
local terms energy: -284.287437
where:
bonds (distance) C4'-P energy: -56.465
bonds (distance) P-C4' energy: -41.807
flat angles C4'-P-C4' energy: -60.435
flat angles P-C4'-P energy: -46.201
tors. eta vs tors. theta energy: -79.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -893.942796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.942796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.942796 (E_RNA)
where:
Base-Base interactions energy: -606.310
where: short stacking energy: -248.661
Base-Backbone interact. energy: -1.140
local terms energy: -286.492731
where:
bonds (distance) C4'-P energy: -47.133
bonds (distance) P-C4' energy: -58.552
flat angles C4'-P-C4' energy: -62.250
flat angles P-C4'-P energy: -46.254
tors. eta vs tors. theta energy: -72.303
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: 323
Temperature: 1.000000
Total energy: -843.280284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.280284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.280284 (E_RNA)
where:
Base-Base interactions energy: -566.044
where: short stacking energy: -248.504
Base-Backbone interact. energy: -1.147
local terms energy: -276.089483
where:
bonds (distance) C4'-P energy: -52.493
bonds (distance) P-C4' energy: -49.519
flat angles C4'-P-C4' energy: -60.257
flat angles P-C4'-P energy: -42.809
tors. eta vs tors. theta energy: -71.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -809.609070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.609070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.609070 (E_RNA)
where:
Base-Base interactions energy: -553.723
where: short stacking energy: -235.670
Base-Backbone interact. energy: -0.554
local terms energy: -255.332072
where:
bonds (distance) C4'-P energy: -45.114
bonds (distance) P-C4' energy: -59.025
flat angles C4'-P-C4' energy: -52.969
flat angles P-C4'-P energy: -35.574
tors. eta vs tors. theta energy: -62.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -776.736117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.736117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.736117 (E_RNA)
where:
Base-Base interactions energy: -530.814
where: short stacking energy: -195.649
Base-Backbone interact. energy: -0.383
local terms energy: -245.539345
where:
bonds (distance) C4'-P energy: -54.956
bonds (distance) P-C4' energy: -52.351
flat angles C4'-P-C4' energy: -54.060
flat angles P-C4'-P energy: -37.251
tors. eta vs tors. theta energy: -46.922
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: 323
Temperature: 1.150000
Total energy: -684.768719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.768719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.768719 (E_RNA)
where:
Base-Base interactions energy: -478.038
where: short stacking energy: -197.828
Base-Backbone interact. energy: 1.049
local terms energy: -207.779735
where:
bonds (distance) C4'-P energy: -49.736
bonds (distance) P-C4' energy: -49.474
flat angles C4'-P-C4' energy: -54.497
flat angles P-C4'-P energy: -15.402
tors. eta vs tors. theta energy: -38.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -607.607526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.607526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.607526 (E_RNA)
where:
Base-Base interactions energy: -407.460
where: short stacking energy: -149.918
Base-Backbone interact. energy: 0.294
local terms energy: -200.441422
where:
bonds (distance) C4'-P energy: -38.123
bonds (distance) P-C4' energy: -52.779
flat angles C4'-P-C4' energy: -49.687
flat angles P-C4'-P energy: -34.022
tors. eta vs tors. theta energy: -25.831
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: 8, replica: 2
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -426.094452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.094452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.094452 (E_RNA)
where:
Base-Base interactions energy: -257.106
where: short stacking energy: -104.437
Base-Backbone interact. energy: -1.881
local terms energy: -167.107435
where:
bonds (distance) C4'-P energy: -47.342
bonds (distance) P-C4' energy: -42.802
flat angles C4'-P-C4' energy: -37.241
flat angles P-C4'-P energy: -28.403
tors. eta vs tors. theta energy: -11.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -314.564240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.564240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.564240 (E_RNA)
where:
Base-Base interactions energy: -144.767
where: short stacking energy: -88.239
Base-Backbone interact. energy: -0.636
local terms energy: -169.161715
where:
bonds (distance) C4'-P energy: -51.576
bonds (distance) P-C4' energy: -40.554
flat angles C4'-P-C4' energy: -44.584
flat angles P-C4'-P energy: -29.542
tors. eta vs tors. theta energy: -2.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -229.390138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.390138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.390138 (E_RNA)
where:
Base-Base interactions energy: -101.940
where: short stacking energy: -67.446
Base-Backbone interact. energy: -2.060
local terms energy: -125.390462
where:
bonds (distance) C4'-P energy: -44.323
bonds (distance) P-C4' energy: -38.049
flat angles C4'-P-C4' energy: -42.724
flat angles P-C4'-P energy: -18.064
tors. eta vs tors. theta energy: 17.769
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: 3
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -914.520036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.520036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.520036 (E_RNA)
where:
Base-Base interactions energy: -625.556
where: short stacking energy: -273.566
Base-Backbone interact. energy: -2.499
local terms energy: -286.465270
where:
bonds (distance) C4'-P energy: -54.302
bonds (distance) P-C4' energy: -50.143
flat angles C4'-P-C4' energy: -60.435
flat angles P-C4'-P energy: -45.660
tors. eta vs tors. theta energy: -75.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -890.852339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.852339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.852339 (E_RNA)
where:
Base-Base interactions energy: -619.976
where: short stacking energy: -262.076
Base-Backbone interact. energy: -2.703
local terms energy: -268.173893
where:
bonds (distance) C4'-P energy: -51.602
bonds (distance) P-C4' energy: -50.278
flat angles C4'-P-C4' energy: -54.798
flat angles P-C4'-P energy: -41.484
tors. eta vs tors. theta energy: -70.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -846.100671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.100671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.100671 (E_RNA)
where:
Base-Base interactions energy: -575.991
where: short stacking energy: -265.705
Base-Backbone interact. energy: -1.420
local terms energy: -268.690054
where:
bonds (distance) C4'-P energy: -44.245
bonds (distance) P-C4' energy: -47.693
flat angles C4'-P-C4' energy: -62.227
flat angles P-C4'-P energy: -41.038
tors. eta vs tors. theta energy: -73.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -834.083163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.083163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.083163 (E_RNA)
where:
Base-Base interactions energy: -583.208
where: short stacking energy: -266.245
Base-Backbone interact. energy: -1.303
local terms energy: -249.571549
where:
bonds (distance) C4'-P energy: -52.740
bonds (distance) P-C4' energy: -29.429
flat angles C4'-P-C4' energy: -54.375
flat angles P-C4'-P energy: -35.594
tors. eta vs tors. theta energy: -77.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -718.196031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.196031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.196031 (E_RNA)
where:
Base-Base interactions energy: -486.764
where: short stacking energy: -185.161
Base-Backbone interact. energy: -2.133
local terms energy: -229.299770
where:
bonds (distance) C4'-P energy: -51.113
bonds (distance) P-C4' energy: -37.419
flat angles C4'-P-C4' energy: -58.475
flat angles P-C4'-P energy: -43.386
tors. eta vs tors. theta energy: -38.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -793.990108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.990108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.990108 (E_RNA)
where:
Base-Base interactions energy: -539.289
where: short stacking energy: -223.750
Base-Backbone interact. energy: -0.941
local terms energy: -253.760461
where:
bonds (distance) C4'-P energy: -43.534
bonds (distance) P-C4' energy: -52.903
flat angles C4'-P-C4' energy: -53.808
flat angles P-C4'-P energy: -39.472
tors. eta vs tors. theta energy: -64.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -612.018344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.018344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.018344 (E_RNA)
where:
Base-Base interactions energy: -397.032
where: short stacking energy: -157.047
Base-Backbone interact. energy: 0.835
local terms energy: -215.821251
where:
bonds (distance) C4'-P energy: -46.909
bonds (distance) P-C4' energy: -50.397
flat angles C4'-P-C4' energy: -49.883
flat angles P-C4'-P energy: -32.936
tors. eta vs tors. theta energy: -35.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -474.875974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.875974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.875974 (E_RNA)
where:
Base-Base interactions energy: -265.447
where: short stacking energy: -135.993
Base-Backbone interact. energy: -0.505
local terms energy: -208.923825
where:
bonds (distance) C4'-P energy: -58.122
bonds (distance) P-C4' energy: -57.821
flat angles C4'-P-C4' energy: -45.465
flat angles P-C4'-P energy: -24.691
tors. eta vs tors. theta energy: -22.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -328.018263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.018263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.018263 (E_RNA)
where:
Base-Base interactions energy: -158.980
where: short stacking energy: -95.305
Base-Backbone interact. energy: 0.836
local terms energy: -169.874686
where:
bonds (distance) C4'-P energy: -43.504
bonds (distance) P-C4' energy: -50.953
flat angles C4'-P-C4' energy: -37.110
flat angles P-C4'-P energy: -28.448
tors. eta vs tors. theta energy: -9.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -244.928869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.928869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.928869 (E_RNA)
where:
Base-Base interactions energy: -91.681
where: short stacking energy: -58.224
Base-Backbone interact. energy: -1.062
local terms energy: -152.185679
where:
bonds (distance) C4'-P energy: -45.692
bonds (distance) P-C4' energy: -50.842
flat angles C4'-P-C4' energy: -39.795
flat angles P-C4'-P energy: -24.465
tors. eta vs tors. theta energy: 8.608
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: 3
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -908.402358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.402358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.402358 (E_RNA)
where:
Base-Base interactions energy: -630.128
where: short stacking energy: -287.725
Base-Backbone interact. energy: -2.203
local terms energy: -276.071354
where:
bonds (distance) C4'-P energy: -44.669
bonds (distance) P-C4' energy: -54.728
flat angles C4'-P-C4' energy: -54.683
flat angles P-C4'-P energy: -44.923
tors. eta vs tors. theta energy: -77.068
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: 1
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -898.053559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.053559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.053559 (E_RNA)
where:
Base-Base interactions energy: -615.280
where: short stacking energy: -251.095
Base-Backbone interact. energy: -0.988
local terms energy: -281.785543
where:
bonds (distance) C4'-P energy: -49.276
bonds (distance) P-C4' energy: -59.096
flat angles C4'-P-C4' energy: -56.122
flat angles P-C4'-P energy: -44.545
tors. eta vs tors. theta energy: -72.747
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: 4
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -862.491095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.491095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.491095 (E_RNA)
where:
Base-Base interactions energy: -592.669
where: short stacking energy: -247.172
Base-Backbone interact. energy: -1.172
local terms energy: -268.650105
where:
bonds (distance) C4'-P energy: -50.674
bonds (distance) P-C4' energy: -45.392
flat angles C4'-P-C4' energy: -54.755
flat angles P-C4'-P energy: -44.597
tors. eta vs tors. theta energy: -73.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -798.231336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.231336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.231336 (E_RNA)
where:
Base-Base interactions energy: -543.381
where: short stacking energy: -238.244
Base-Backbone interact. energy: -1.553
local terms energy: -253.297249
where:
bonds (distance) C4'-P energy: -38.064
bonds (distance) P-C4' energy: -54.887
flat angles C4'-P-C4' energy: -52.114
flat angles P-C4'-P energy: -40.358
tors. eta vs tors. theta energy: -67.874
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: 6
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -706.745253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.745253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.745253 (E_RNA)
where:
Base-Base interactions energy: -493.323
where: short stacking energy: -215.453
Base-Backbone interact. energy: -1.156
local terms energy: -212.265816
where:
bonds (distance) C4'-P energy: -43.152
bonds (distance) P-C4' energy: -48.574
flat angles C4'-P-C4' energy: -54.895
flat angles P-C4'-P energy: -22.837
tors. eta vs tors. theta energy: -42.807
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: 6, replica: 7
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -764.533392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.533392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.533392 (E_RNA)
where:
Base-Base interactions energy: -534.684
where: short stacking energy: -233.101
Base-Backbone interact. energy: -1.425
local terms energy: -228.424222
where:
bonds (distance) C4'-P energy: -40.059
bonds (distance) P-C4' energy: -49.113
flat angles C4'-P-C4' energy: -52.720
flat angles P-C4'-P energy: -33.546
tors. eta vs tors. theta energy: -52.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -617.973534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.973534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.973534 (E_RNA)
where:
Base-Base interactions energy: -398.613
where: short stacking energy: -191.873
Base-Backbone interact. energy: -0.682
local terms energy: -218.678591
where:
bonds (distance) C4'-P energy: -51.935
bonds (distance) P-C4' energy: -46.205
flat angles C4'-P-C4' energy: -46.292
flat angles P-C4'-P energy: -31.136
tors. eta vs tors. theta energy: -43.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -470.586696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.586696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.586696 (E_RNA)
where:
Base-Base interactions energy: -285.576
where: short stacking energy: -138.592
Base-Backbone interact. energy: -1.182
local terms energy: -183.828970
where:
bonds (distance) C4'-P energy: -40.346
bonds (distance) P-C4' energy: -47.293
flat angles C4'-P-C4' energy: -36.420
flat angles P-C4'-P energy: -37.600
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: 9, replica: 10
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -330.138659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.138659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.138659 (E_RNA)
where:
Base-Base interactions energy: -183.815
where: short stacking energy: -101.357
Base-Backbone interact. energy: -0.799
local terms energy: -145.524959
where:
bonds (distance) C4'-P energy: -26.201
bonds (distance) P-C4' energy: -47.689
flat angles C4'-P-C4' energy: -46.983
flat angles P-C4'-P energy: -22.087
tors. eta vs tors. theta energy: -2.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -234.299372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.299372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.299372 (E_RNA)
where:
Base-Base interactions energy: -96.757
where: short stacking energy: -63.511
Base-Backbone interact. energy: 1.131
local terms energy: -138.672978
where:
bonds (distance) C4'-P energy: -32.521
bonds (distance) P-C4' energy: -52.448
flat angles C4'-P-C4' energy: -36.813
flat angles P-C4'-P energy: -13.359
tors. eta vs tors. theta energy: -3.531
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: 1
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -906.294954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.294954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.294954 (E_RNA)
where:
Base-Base interactions energy: -624.448
where: short stacking energy: -252.970
Base-Backbone interact. energy: -0.863
local terms energy: -280.984148
where:
bonds (distance) C4'-P energy: -49.806
bonds (distance) P-C4' energy: -58.748
flat angles C4'-P-C4' energy: -58.120
flat angles P-C4'-P energy: -40.029
tors. eta vs tors. theta energy: -74.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -872.247399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.247399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.247399 (E_RNA)
where:
Base-Base interactions energy: -598.281
where: short stacking energy: -257.328
Base-Backbone interact. energy: -0.469
local terms energy: -273.497376
where:
bonds (distance) C4'-P energy: -49.764
bonds (distance) P-C4' energy: -49.968
flat angles C4'-P-C4' energy: -60.393
flat angles P-C4'-P energy: -41.533
tors. eta vs tors. theta energy: -71.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -868.240244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.240244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.240244 (E_RNA)
where:
Base-Base interactions energy: -607.337
where: short stacking energy: -252.152
Base-Backbone interact. energy: -1.586
local terms energy: -259.317100
where:
bonds (distance) C4'-P energy: -46.778
bonds (distance) P-C4' energy: -47.684
flat angles C4'-P-C4' energy: -58.260
flat angles P-C4'-P energy: -34.509
tors. eta vs tors. theta energy: -72.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -824.148544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.148544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.148544 (E_RNA)
where:
Base-Base interactions energy: -579.038
where: short stacking energy: -240.735
Base-Backbone interact. energy: 3.732
local terms energy: -248.842724
where:
bonds (distance) C4'-P energy: -48.576
bonds (distance) P-C4' energy: -52.784
flat angles C4'-P-C4' energy: -55.131
flat angles P-C4'-P energy: -33.120
tors. eta vs tors. theta energy: -59.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -710.369399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.369399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.369399 (E_RNA)
where:
Base-Base interactions energy: -479.486
where: short stacking energy: -202.962
Base-Backbone interact. energy: -1.168
local terms energy: -229.715670
where:
bonds (distance) C4'-P energy: -44.116
bonds (distance) P-C4' energy: -48.062
flat angles C4'-P-C4' energy: -50.210
flat angles P-C4'-P energy: -34.471
tors. eta vs tors. theta energy: -52.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -721.631783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.631783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.631783 (E_RNA)
where:
Base-Base interactions energy: -516.099
where: short stacking energy: -203.187
Base-Backbone interact. energy: 0.808
local terms energy: -206.340945
where:
bonds (distance) C4'-P energy: -39.985
bonds (distance) P-C4' energy: -47.324
flat angles C4'-P-C4' energy: -42.157
flat angles P-C4'-P energy: -29.999
tors. eta vs tors. theta energy: -46.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -595.598178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.598178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.598178 (E_RNA)
where:
Base-Base interactions energy: -401.467
where: short stacking energy: -174.741
Base-Backbone interact. energy: -0.424
local terms energy: -193.706786
where:
bonds (distance) C4'-P energy: -36.350
bonds (distance) P-C4' energy: -46.325
flat angles C4'-P-C4' energy: -53.806
flat angles P-C4'-P energy: -28.069
tors. eta vs tors. theta energy: -29.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -481.889598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.889598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.889598 (E_RNA)
where:
Base-Base interactions energy: -292.626
where: short stacking energy: -134.635
Base-Backbone interact. energy: -1.142
local terms energy: -188.121660
where:
bonds (distance) C4'-P energy: -49.783
bonds (distance) P-C4' energy: -49.012
flat angles C4'-P-C4' energy: -38.784
flat angles P-C4'-P energy: -29.194
tors. eta vs tors. theta energy: -21.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -244.957869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.957869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.957869 (E_RNA)
where:
Base-Base interactions energy: -86.416
where: short stacking energy: -67.821
Base-Backbone interact. energy: -0.406
local terms energy: -158.136527
where:
bonds (distance) C4'-P energy: -51.373
bonds (distance) P-C4' energy: -37.809
flat angles C4'-P-C4' energy: -40.002
flat angles P-C4'-P energy: -29.658
tors. eta vs tors. theta energy: 0.706
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: 10, replica: 10
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -322.705436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.705436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.705436 (E_RNA)
where:
Base-Base interactions energy: -153.655
where: short stacking energy: -90.108
Base-Backbone interact. energy: 1.707
local terms energy: -170.757675
where:
bonds (distance) C4'-P energy: -47.867
bonds (distance) P-C4' energy: -42.441
flat angles C4'-P-C4' energy: -45.374
flat angles P-C4'-P energy: -30.950
tors. eta vs tors. theta energy: -4.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -919.878805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.878805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.878805 (E_RNA)
where:
Base-Base interactions energy: -626.354
where: short stacking energy: -271.829
Base-Backbone interact. energy: -0.088
local terms energy: -293.437079
where:
bonds (distance) C4'-P energy: -49.260
bonds (distance) P-C4' energy: -62.150
flat angles C4'-P-C4' energy: -60.327
flat angles P-C4'-P energy: -41.679
tors. eta vs tors. theta energy: -80.022
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: 4
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -874.664127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.664127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.664127 (E_RNA)
where:
Base-Base interactions energy: -599.335
where: short stacking energy: -245.399
Base-Backbone interact. energy: 3.791
local terms energy: -279.119837
where:
bonds (distance) C4'-P energy: -56.608
bonds (distance) P-C4' energy: -54.553
flat angles C4'-P-C4' energy: -63.513
flat angles P-C4'-P energy: -38.169
tors. eta vs tors. theta energy: -66.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -853.490291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.490291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.490291 (E_RNA)
where:
Base-Base interactions energy: -582.880
where: short stacking energy: -232.842
Base-Backbone interact. energy: 2.014
local terms energy: -272.623729
where:
bonds (distance) C4'-P energy: -49.888
bonds (distance) P-C4' energy: -53.366
flat angles C4'-P-C4' energy: -61.421
flat angles P-C4'-P energy: -44.100
tors. eta vs tors. theta energy: -63.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -826.430826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.430826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.430826 (E_RNA)
where:
Base-Base interactions energy: -560.025
where: short stacking energy: -246.819
Base-Backbone interact. energy: 1.991
local terms energy: -268.397215
where:
bonds (distance) C4'-P energy: -45.655
bonds (distance) P-C4' energy: -52.097
flat angles C4'-P-C4' energy: -53.944
flat angles P-C4'-P energy: -46.462
tors. eta vs tors. theta energy: -70.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -718.657778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.657778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.657778 (E_RNA)
where:
Base-Base interactions energy: -493.373
where: short stacking energy: -218.580
Base-Backbone interact. energy: -0.615
local terms energy: -224.669119
where:
bonds (distance) C4'-P energy: -42.832
bonds (distance) P-C4' energy: -50.796
flat angles C4'-P-C4' energy: -43.792
flat angles P-C4'-P energy: -33.860
tors. eta vs tors. theta energy: -53.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -701.230655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.230655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.230655 (E_RNA)
where:
Base-Base interactions energy: -453.300
where: short stacking energy: -196.727
Base-Backbone interact. energy: -0.189
local terms energy: -247.741805
where:
bonds (distance) C4'-P energy: -55.256
bonds (distance) P-C4' energy: -48.847
flat angles C4'-P-C4' energy: -53.387
flat angles P-C4'-P energy: -34.484
tors. eta vs tors. theta energy: -55.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -610.863557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.863557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.863557 (E_RNA)
where:
Base-Base interactions energy: -402.977
where: short stacking energy: -171.736
Base-Backbone interact. energy: -0.668
local terms energy: -207.218468
where:
bonds (distance) C4'-P energy: -48.751
bonds (distance) P-C4' energy: -43.136
flat angles C4'-P-C4' energy: -49.981
flat angles P-C4'-P energy: -31.053
tors. eta vs tors. theta energy: -34.298
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: 2
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -549.182680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.182680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.182680 (E_RNA)
where:
Base-Base interactions energy: -361.160
where: short stacking energy: -175.809
Base-Backbone interact. energy: -1.063
local terms energy: -186.958860
where:
bonds (distance) C4'-P energy: -49.300
bonds (distance) P-C4' energy: -39.437
flat angles C4'-P-C4' energy: -39.551
flat angles P-C4'-P energy: -25.545
tors. eta vs tors. theta energy: -33.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -253.129297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.129297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.129297 (E_RNA)
where:
Base-Base interactions energy: -86.784
where: short stacking energy: -75.400
Base-Backbone interact. energy: -0.952
local terms energy: -165.393458
where:
bonds (distance) C4'-P energy: -48.624
bonds (distance) P-C4' energy: -47.333
flat angles C4'-P-C4' energy: -37.231
flat angles P-C4'-P energy: -29.956
tors. eta vs tors. theta energy: -2.250
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: 10
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -301.025688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.025688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.025688 (E_RNA)
where:
Base-Base interactions energy: -145.884
where: short stacking energy: -82.994
Base-Backbone interact. energy: -0.619
local terms energy: -154.522556
where:
bonds (distance) C4'-P energy: -51.323
bonds (distance) P-C4' energy: -47.904
flat angles C4'-P-C4' energy: -36.842
flat angles P-C4'-P energy: -16.742
tors. eta vs tors. theta energy: -1.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -926.418314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.418314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.418314 (E_RNA)
where:
Base-Base interactions energy: -642.454
where: short stacking energy: -264.123
Base-Backbone interact. energy: 0.446
local terms energy: -284.409740
where:
bonds (distance) C4'-P energy: -51.207
bonds (distance) P-C4' energy: -55.838
flat angles C4'-P-C4' energy: -63.262
flat angles P-C4'-P energy: -45.362
tors. eta vs tors. theta energy: -68.741
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: 4
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -853.263135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.263135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.263135 (E_RNA)
where:
Base-Base interactions energy: -593.397
where: short stacking energy: -218.578
Base-Backbone interact. energy: -1.103
local terms energy: -258.763179
where:
bonds (distance) C4'-P energy: -51.054
bonds (distance) P-C4' energy: -54.569
flat angles C4'-P-C4' energy: -62.823
flat angles P-C4'-P energy: -34.501
tors. eta vs tors. theta energy: -55.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -846.260954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.260954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.260954 (E_RNA)
where:
Base-Base interactions energy: -584.136
where: short stacking energy: -259.484
Base-Backbone interact. energy: -2.766
local terms energy: -259.359174
where:
bonds (distance) C4'-P energy: -45.968
bonds (distance) P-C4' energy: -47.735
flat angles C4'-P-C4' energy: -58.626
flat angles P-C4'-P energy: -39.222
tors. eta vs tors. theta energy: -67.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -836.664663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.664663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.664663 (E_RNA)
where:
Base-Base interactions energy: -607.403
where: short stacking energy: -242.178
Base-Backbone interact. energy: -2.110
local terms energy: -227.151363
where:
bonds (distance) C4'-P energy: -28.343
bonds (distance) P-C4' energy: -46.896
flat angles C4'-P-C4' energy: -50.320
flat angles P-C4'-P energy: -34.408
tors. eta vs tors. theta energy: -67.184
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: 7
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -759.273704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.273704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.273704 (E_RNA)
where:
Base-Base interactions energy: -508.569
where: short stacking energy: -220.421
Base-Backbone interact. energy: -0.788
local terms energy: -249.916234
where:
bonds (distance) C4'-P energy: -50.122
bonds (distance) P-C4' energy: -56.712
flat angles C4'-P-C4' energy: -44.463
flat angles P-C4'-P energy: -34.917
tors. eta vs tors. theta energy: -63.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -701.104114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.104114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.104114 (E_RNA)
where:
Base-Base interactions energy: -479.736
where: short stacking energy: -207.236
Base-Backbone interact. energy: -0.952
local terms energy: -220.416423
where:
bonds (distance) C4'-P energy: -34.111
bonds (distance) P-C4' energy: -47.416
flat angles C4'-P-C4' energy: -52.279
flat angles P-C4'-P energy: -40.623
tors. eta vs tors. theta energy: -45.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -594.776730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.776730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.776730 (E_RNA)
where:
Base-Base interactions energy: -364.395
where: short stacking energy: -163.505
Base-Backbone interact. energy: -0.844
local terms energy: -229.537931
where:
bonds (distance) C4'-P energy: -49.697
bonds (distance) P-C4' energy: -47.439
flat angles C4'-P-C4' energy: -51.165
flat angles P-C4'-P energy: -38.527
tors. eta vs tors. theta energy: -42.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -540.573079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.573079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.573079 (E_RNA)
where:
Base-Base interactions energy: -349.026
where: short stacking energy: -136.962
Base-Backbone interact. energy: -2.089
local terms energy: -189.458171
where:
bonds (distance) C4'-P energy: -41.725
bonds (distance) P-C4' energy: -44.860
flat angles C4'-P-C4' energy: -45.605
flat angles P-C4'-P energy: -29.798
tors. eta vs tors. theta energy: -27.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -314.805008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.805008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.805008 (E_RNA)
where:
Base-Base interactions energy: -149.428
where: short stacking energy: -94.512
Base-Backbone interact. energy: -0.755
local terms energy: -164.621261
where:
bonds (distance) C4'-P energy: -44.012
bonds (distance) P-C4' energy: -46.482
flat angles C4'-P-C4' energy: -47.388
flat angles P-C4'-P energy: -17.553
tors. eta vs tors. theta energy: -9.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -230.330306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.330306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.330306 (E_RNA)
where:
Base-Base interactions energy: -76.861
where: short stacking energy: -64.959
Base-Backbone interact. energy: 3.172
local terms energy: -156.641192
where:
bonds (distance) C4'-P energy: -33.314
bonds (distance) P-C4' energy: -55.360
flat angles C4'-P-C4' energy: -47.571
flat angles P-C4'-P energy: -29.112
tors. eta vs tors. theta energy: 8.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -919.874178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.874178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.874178 (E_RNA)
where:
Base-Base interactions energy: -639.268
where: short stacking energy: -278.956
Base-Backbone interact. energy: 0.861
local terms energy: -281.466852
where:
bonds (distance) C4'-P energy: -46.351
bonds (distance) P-C4' energy: -50.720
flat angles C4'-P-C4' energy: -60.285
flat angles P-C4'-P energy: -51.118
tors. eta vs tors. theta energy: -72.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -875.765247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.765247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.765247 (E_RNA)
where:
Base-Base interactions energy: -606.970
where: short stacking energy: -241.897
Base-Backbone interact. energy: -0.454
local terms energy: -268.341935
where:
bonds (distance) C4'-P energy: -54.502
bonds (distance) P-C4' energy: -50.055
flat angles C4'-P-C4' energy: -57.793
flat angles P-C4'-P energy: -37.984
tors. eta vs tors. theta energy: -68.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -857.922954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.922954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.922954 (E_RNA)
where:
Base-Base interactions energy: -588.267
where: short stacking energy: -255.529
Base-Backbone interact. energy: -1.810
local terms energy: -267.845765
where:
bonds (distance) C4'-P energy: -52.073
bonds (distance) P-C4' energy: -54.683
flat angles C4'-P-C4' energy: -49.329
flat angles P-C4'-P energy: -45.180
tors. eta vs tors. theta energy: -66.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -839.984416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.984416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.984416 (E_RNA)
where:
Base-Base interactions energy: -576.344
where: short stacking energy: -251.732
Base-Backbone interact. energy: -0.090
local terms energy: -263.550582
where:
bonds (distance) C4'-P energy: -45.694
bonds (distance) P-C4' energy: -54.155
flat angles C4'-P-C4' energy: -56.369
flat angles P-C4'-P energy: -38.693
tors. eta vs tors. theta energy: -68.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -764.097350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.097350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.097350 (E_RNA)
where:
Base-Base interactions energy: -514.872
where: short stacking energy: -224.531
Base-Backbone interact. energy: -0.086
local terms energy: -249.140148
where:
bonds (distance) C4'-P energy: -42.595
bonds (distance) P-C4' energy: -58.858
flat angles C4'-P-C4' energy: -52.011
flat angles P-C4'-P energy: -33.833
tors. eta vs tors. theta energy: -61.843
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: 6
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -687.144166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.144166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.144166 (E_RNA)
where:
Base-Base interactions energy: -463.785
where: short stacking energy: -184.835
Base-Backbone interact. energy: 0.343
local terms energy: -223.702106
where:
bonds (distance) C4'-P energy: -45.302
bonds (distance) P-C4' energy: -48.202
flat angles C4'-P-C4' energy: -53.962
flat angles P-C4'-P energy: -30.345
tors. eta vs tors. theta energy: -45.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -653.597562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.597562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.597562 (E_RNA)
where:
Base-Base interactions energy: -434.234
where: short stacking energy: -179.381
Base-Backbone interact. energy: -1.791
local terms energy: -217.573033
where:
bonds (distance) C4'-P energy: -44.741
bonds (distance) P-C4' energy: -54.756
flat angles C4'-P-C4' energy: -52.986
flat angles P-C4'-P energy: -24.808
tors. eta vs tors. theta energy: -40.282
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: 2
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -569.682123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.682123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.682123 (E_RNA)
where:
Base-Base interactions energy: -366.100
where: short stacking energy: -159.056
Base-Backbone interact. energy: -2.069
local terms energy: -201.513471
where:
bonds (distance) C4'-P energy: -45.112
bonds (distance) P-C4' energy: -49.373
flat angles C4'-P-C4' energy: -46.661
flat angles P-C4'-P energy: -29.631
tors. eta vs tors. theta energy: -30.736
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: 10
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -317.995724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.995724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.995724 (E_RNA)
where:
Base-Base interactions energy: -147.397
where: short stacking energy: -105.332
Base-Backbone interact. energy: -0.010
local terms energy: -170.589252
where:
bonds (distance) C4'-P energy: -44.763
bonds (distance) P-C4' energy: -35.296
flat angles C4'-P-C4' energy: -45.162
flat angles P-C4'-P energy: -29.192
tors. eta vs tors. theta energy: -16.176
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: 9
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -225.208426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.208426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.208426 (E_RNA)
where:
Base-Base interactions energy: -70.097
where: short stacking energy: -42.174
Base-Backbone interact. energy: 0.916
local terms energy: -156.027638
where:
bonds (distance) C4'-P energy: -52.353
bonds (distance) P-C4' energy: -58.942
flat angles C4'-P-C4' energy: -33.760
flat angles P-C4'-P energy: -20.404
tors. eta vs tors. theta energy: 9.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -898.281287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.281287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.281287 (E_RNA)
where:
Base-Base interactions energy: -629.416
where: short stacking energy: -266.160
Base-Backbone interact. energy: 4.079
local terms energy: -272.944403
where:
bonds (distance) C4'-P energy: -41.717
bonds (distance) P-C4' energy: -58.137
flat angles C4'-P-C4' energy: -54.828
flat angles P-C4'-P energy: -46.893
tors. eta vs tors. theta energy: -71.370
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: 1
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -902.784291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.784291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.784291 (E_RNA)
where:
Base-Base interactions energy: -627.180
where: short stacking energy: -259.096
Base-Backbone interact. energy: 2.585
local terms energy: -278.189624
where:
bonds (distance) C4'-P energy: -58.122
bonds (distance) P-C4' energy: -46.441
flat angles C4'-P-C4' energy: -60.489
flat angles P-C4'-P energy: -39.807
tors. eta vs tors. theta energy: -73.330
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: 3, replica: 3
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -868.150523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.150523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.150523 (E_RNA)
where:
Base-Base interactions energy: -590.939
where: short stacking energy: -262.767
Base-Backbone interact. energy: -0.711
local terms energy: -276.500704
where:
bonds (distance) C4'-P energy: -51.355
bonds (distance) P-C4' energy: -56.142
flat angles C4'-P-C4' energy: -58.250
flat angles P-C4'-P energy: -39.755
tors. eta vs tors. theta energy: -70.998
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: 4, replica: 5
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -835.619195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.619195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.619195 (E_RNA)
where:
Base-Base interactions energy: -560.189
where: short stacking energy: -247.529
Base-Backbone interact. energy: -0.573
local terms energy: -274.856767
where:
bonds (distance) C4'-P energy: -52.520
bonds (distance) P-C4' energy: -52.454
flat angles C4'-P-C4' energy: -56.704
flat angles P-C4'-P energy: -37.862
tors. eta vs tors. theta energy: -75.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -765.254028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.254028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.254028 (E_RNA)
where:
Base-Base interactions energy: -506.653
where: short stacking energy: -211.913
Base-Backbone interact. energy: -1.381
local terms energy: -257.219758
where:
bonds (distance) C4'-P energy: -47.627
bonds (distance) P-C4' energy: -54.784
flat angles C4'-P-C4' energy: -56.197
flat angles P-C4'-P energy: -43.396
tors. eta vs tors. theta energy: -55.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -696.895197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.895197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.895197 (E_RNA)
where:
Base-Base interactions energy: -468.509
where: short stacking energy: -192.027
Base-Backbone interact. energy: 0.236
local terms energy: -228.622441
where:
bonds (distance) C4'-P energy: -50.258
bonds (distance) P-C4' energy: -58.732
flat angles C4'-P-C4' energy: -42.662
flat angles P-C4'-P energy: -30.498
tors. eta vs tors. theta energy: -46.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -628.407596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.407596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.407596 (E_RNA)
where:
Base-Base interactions energy: -402.439
where: short stacking energy: -183.645
Base-Backbone interact. energy: -0.494
local terms energy: -225.474924
where:
bonds (distance) C4'-P energy: -51.960
bonds (distance) P-C4' energy: -42.153
flat angles C4'-P-C4' energy: -49.607
flat angles P-C4'-P energy: -33.508
tors. eta vs tors. theta energy: -48.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -613.118015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.118015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.118015 (E_RNA)
where:
Base-Base interactions energy: -406.814
where: short stacking energy: -171.746
Base-Backbone interact. energy: -1.174
local terms energy: -205.129328
where:
bonds (distance) C4'-P energy: -40.350
bonds (distance) P-C4' energy: -45.995
flat angles C4'-P-C4' energy: -47.727
flat angles P-C4'-P energy: -32.666
tors. eta vs tors. theta energy: -38.392
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: 10
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -291.119689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.119689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.119689 (E_RNA)
where:
Base-Base interactions energy: -145.452
where: short stacking energy: -88.033
Base-Backbone interact. energy: -1.550
local terms energy: -144.117053
where:
bonds (distance) C4'-P energy: -50.114
bonds (distance) P-C4' energy: -31.391
flat angles C4'-P-C4' energy: -36.011
flat angles P-C4'-P energy: -17.117
tors. eta vs tors. theta energy: -9.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -271.500790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.500790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.500790 (E_RNA)
where:
Base-Base interactions energy: -130.232
where: short stacking energy: -68.693
Base-Backbone interact. energy: 1.544
local terms energy: -142.813316
where:
bonds (distance) C4'-P energy: -37.128
bonds (distance) P-C4' energy: -45.417
flat angles C4'-P-C4' energy: -38.730
flat angles P-C4'-P energy: -29.721
tors. eta vs tors. theta energy: 8.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -915.353643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.353643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.353643 (E_RNA)
where:
Base-Base interactions energy: -650.614
where: short stacking energy: -279.255
Base-Backbone interact. energy: -1.985
local terms energy: -262.754828
where:
bonds (distance) C4'-P energy: -48.713
bonds (distance) P-C4' energy: -49.370
flat angles C4'-P-C4' energy: -53.786
flat angles P-C4'-P energy: -38.968
tors. eta vs tors. theta energy: -71.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -897.015687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.015687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.015687 (E_RNA)
where:
Base-Base interactions energy: -612.838
where: short stacking energy: -267.250
Base-Backbone interact. energy: -2.331
local terms energy: -281.846733
where:
bonds (distance) C4'-P energy: -48.975
bonds (distance) P-C4' energy: -54.711
flat angles C4'-P-C4' energy: -62.514
flat angles P-C4'-P energy: -42.338
tors. eta vs tors. theta energy: -73.309
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: 3
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -844.405559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.405559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.405559 (E_RNA)
where:
Base-Base interactions energy: -565.861
where: short stacking energy: -241.361
Base-Backbone interact. energy: -3.182
local terms energy: -275.362205
where:
bonds (distance) C4'-P energy: -49.640
bonds (distance) P-C4' energy: -56.630
flat angles C4'-P-C4' energy: -54.561
flat angles P-C4'-P energy: -40.608
tors. eta vs tors. theta energy: -73.923
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: 4, replica: 5
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -831.149073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.149073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.149073 (E_RNA)
where:
Base-Base interactions energy: -585.813
where: short stacking energy: -256.667
Base-Backbone interact. energy: 1.213
local terms energy: -246.549249
where:
bonds (distance) C4'-P energy: -50.018
bonds (distance) P-C4' energy: -50.194
flat angles C4'-P-C4' energy: -49.566
flat angles P-C4'-P energy: -28.633
tors. eta vs tors. theta energy: -68.139
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: 7
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -779.493828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.493828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.493828 (E_RNA)
where:
Base-Base interactions energy: -527.898
where: short stacking energy: -223.592
Base-Backbone interact. energy: 0.521
local terms energy: -252.116628
where:
bonds (distance) C4'-P energy: -44.080
bonds (distance) P-C4' energy: -50.995
flat angles C4'-P-C4' energy: -59.336
flat angles P-C4'-P energy: -29.252
tors. eta vs tors. theta energy: -68.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -702.971658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.971658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.971658 (E_RNA)
where:
Base-Base interactions energy: -474.306
where: short stacking energy: -184.575
Base-Backbone interact. energy: -0.571
local terms energy: -228.094746
where:
bonds (distance) C4'-P energy: -50.199
bonds (distance) P-C4' energy: -51.915
flat angles C4'-P-C4' energy: -45.724
flat angles P-C4'-P energy: -36.076
tors. eta vs tors. theta energy: -44.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -627.854286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.854286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.854286 (E_RNA)
where:
Base-Base interactions energy: -405.949
where: short stacking energy: -179.749
Base-Backbone interact. energy: -0.349
local terms energy: -221.556382
where:
bonds (distance) C4'-P energy: -42.969
bonds (distance) P-C4' energy: -46.792
flat angles C4'-P-C4' energy: -49.929
flat angles P-C4'-P energy: -38.613
tors. eta vs tors. theta energy: -43.254
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: 8, replica: 8
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -591.992407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.992407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.992407 (E_RNA)
where:
Base-Base interactions energy: -394.717
where: short stacking energy: -151.594
Base-Backbone interact. energy: 2.667
local terms energy: -199.941940
where:
bonds (distance) C4'-P energy: -42.335
bonds (distance) P-C4' energy: -55.469
flat angles C4'-P-C4' energy: -43.590
flat angles P-C4'-P energy: -28.473
tors. eta vs tors. theta energy: -30.075
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: 10
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -330.979118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.979118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.979118 (E_RNA)
where:
Base-Base interactions energy: -153.907
where: short stacking energy: -97.748
Base-Backbone interact. energy: 2.280
local terms energy: -179.351205
where:
bonds (distance) C4'-P energy: -44.314
bonds (distance) P-C4' energy: -53.203
flat angles C4'-P-C4' energy: -34.047
flat angles P-C4'-P energy: -33.479
tors. eta vs tors. theta energy: -14.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -321.314605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.314605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.314605 (E_RNA)
where:
Base-Base interactions energy: -171.235
where: short stacking energy: -79.964
Base-Backbone interact. energy: -1.515
local terms energy: -148.564495
where:
bonds (distance) C4'-P energy: -44.577
bonds (distance) P-C4' energy: -40.726
flat angles C4'-P-C4' energy: -47.591
flat angles P-C4'-P energy: -23.505
tors. eta vs tors. theta energy: 7.835
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: 4
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -918.743345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.743345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.743345 (E_RNA)
where:
Base-Base interactions energy: -646.455
where: short stacking energy: -281.213
Base-Backbone interact. energy: 1.295
local terms energy: -273.583450
where:
bonds (distance) C4'-P energy: -45.696
bonds (distance) P-C4' energy: -52.980
flat angles C4'-P-C4' energy: -59.794
flat angles P-C4'-P energy: -36.733
tors. eta vs tors. theta energy: -78.380
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: 1
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -898.316225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.316225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.316225 (E_RNA)
where:
Base-Base interactions energy: -611.889
where: short stacking energy: -256.690
Base-Backbone interact. energy: -1.521
local terms energy: -284.906633
where:
bonds (distance) C4'-P energy: -47.727
bonds (distance) P-C4' energy: -53.973
flat angles C4'-P-C4' energy: -58.959
flat angles P-C4'-P energy: -50.066
tors. eta vs tors. theta energy: -74.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -860.843081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.843081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.843081 (E_RNA)
where:
Base-Base interactions energy: -583.943
where: short stacking energy: -233.987
Base-Backbone interact. energy: -3.980
local terms energy: -272.919711
where:
bonds (distance) C4'-P energy: -47.550
bonds (distance) P-C4' energy: -46.792
flat angles C4'-P-C4' energy: -65.336
flat angles P-C4'-P energy: -43.526
tors. eta vs tors. theta energy: -69.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -822.727790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.727790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.727790 (E_RNA)
where:
Base-Base interactions energy: -561.077
where: short stacking energy: -231.495
Base-Backbone interact. energy: -1.826
local terms energy: -259.825350
where:
bonds (distance) C4'-P energy: -49.896
bonds (distance) P-C4' energy: -51.344
flat angles C4'-P-C4' energy: -59.616
flat angles P-C4'-P energy: -35.369
tors. eta vs tors. theta energy: -63.600
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: 7
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -771.220571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.220571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.220571 (E_RNA)
where:
Base-Base interactions energy: -530.117
where: short stacking energy: -209.555
Base-Backbone interact. energy: 0.234
local terms energy: -241.337532
where:
bonds (distance) C4'-P energy: -43.907
bonds (distance) P-C4' energy: -50.703
flat angles C4'-P-C4' energy: -59.014
flat angles P-C4'-P energy: -29.664
tors. eta vs tors. theta energy: -58.049
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: 6, replica: 6
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -664.388538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.388538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.388538 (E_RNA)
where:
Base-Base interactions energy: -444.321
where: short stacking energy: -178.202
Base-Backbone interact. energy: -1.884
local terms energy: -218.184022
where:
bonds (distance) C4'-P energy: -51.691
bonds (distance) P-C4' energy: -46.032
flat angles C4'-P-C4' energy: -41.083
flat angles P-C4'-P energy: -29.231
tors. eta vs tors. theta energy: -50.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -602.268803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.268803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.268803 (E_RNA)
where:
Base-Base interactions energy: -390.155
where: short stacking energy: -166.255
Base-Backbone interact. energy: -0.978
local terms energy: -211.136544
where:
bonds (distance) C4'-P energy: -46.128
bonds (distance) P-C4' energy: -47.458
flat angles C4'-P-C4' energy: -40.029
flat angles P-C4'-P energy: -37.267
tors. eta vs tors. theta energy: -40.254
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: 8, replica: 2
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -638.725668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.725668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.725668 (E_RNA)
where:
Base-Base interactions energy: -407.118
where: short stacking energy: -191.593
Base-Backbone interact. energy: 2.145
local terms energy: -233.752353
where:
bonds (distance) C4'-P energy: -43.356
bonds (distance) P-C4' energy: -45.487
flat angles C4'-P-C4' energy: -52.227
flat angles P-C4'-P energy: -41.865
tors. eta vs tors. theta energy: -50.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -304.250601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.250601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.250601 (E_RNA)
where:
Base-Base interactions energy: -165.063
where: short stacking energy: -88.896
Base-Backbone interact. energy: -0.873
local terms energy: -138.314795
where:
bonds (distance) C4'-P energy: -42.514
bonds (distance) P-C4' energy: -41.817
flat angles C4'-P-C4' energy: -35.291
flat angles P-C4'-P energy: -19.321
tors. eta vs tors. theta energy: 0.628
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: 10, replica: 9
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -280.842953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.842953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.842953 (E_RNA)
where:
Base-Base interactions energy: -124.530
where: short stacking energy: -90.729
Base-Backbone interact. energy: 0.437
local terms energy: -156.750090
where:
bonds (distance) C4'-P energy: -38.310
bonds (distance) P-C4' energy: -53.650
flat angles C4'-P-C4' energy: -41.916
flat angles P-C4'-P energy: -21.023
tors. eta vs tors. theta energy: -1.851
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: 4
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -911.242992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.242992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.242992 (E_RNA)
where:
Base-Base interactions energy: -617.949
where: short stacking energy: -272.932
Base-Backbone interact. energy: -1.499
local terms energy: -291.794606
where:
bonds (distance) C4'-P energy: -56.064
bonds (distance) P-C4' energy: -55.828
flat angles C4'-P-C4' energy: -67.505
flat angles P-C4'-P energy: -35.547
tors. eta vs tors. theta energy: -76.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -891.101677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.101677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.101677 (E_RNA)
where:
Base-Base interactions energy: -619.145
where: short stacking energy: -272.006
Base-Backbone interact. energy: -2.781
local terms energy: -269.176159
where:
bonds (distance) C4'-P energy: -50.437
bonds (distance) P-C4' energy: -54.192
flat angles C4'-P-C4' energy: -56.102
flat angles P-C4'-P energy: -33.295
tors. eta vs tors. theta energy: -75.151
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: 5
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -837.955392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.955392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.955392 (E_RNA)
where:
Base-Base interactions energy: -577.779
where: short stacking energy: -248.477
Base-Backbone interact. energy: -0.899
local terms energy: -259.277473
where:
bonds (distance) C4'-P energy: -42.553
bonds (distance) P-C4' energy: -52.004
flat angles C4'-P-C4' energy: -52.414
flat angles P-C4'-P energy: -36.628
tors. eta vs tors. theta energy: -75.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -846.837567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.837567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.837567 (E_RNA)
where:
Base-Base interactions energy: -584.709
where: short stacking energy: -248.598
Base-Backbone interact. energy: -1.478
local terms energy: -260.651227
where:
bonds (distance) C4'-P energy: -51.212
bonds (distance) P-C4' energy: -51.305
flat angles C4'-P-C4' energy: -50.820
flat angles P-C4'-P energy: -39.900
tors. eta vs tors. theta energy: -67.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -757.111460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.111460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.111460 (E_RNA)
where:
Base-Base interactions energy: -529.126
where: short stacking energy: -227.920
Base-Backbone interact. energy: 0.440
local terms energy: -228.425192
where:
bonds (distance) C4'-P energy: -48.206
bonds (distance) P-C4' energy: -35.687
flat angles C4'-P-C4' energy: -50.476
flat angles P-C4'-P energy: -36.394
tors. eta vs tors. theta energy: -57.663
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: 8
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -666.381956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.381956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.381956 (E_RNA)
where:
Base-Base interactions energy: -454.378
where: short stacking energy: -206.421
Base-Backbone interact. energy: 0.360
local terms energy: -212.364215
where:
bonds (distance) C4'-P energy: -38.248
bonds (distance) P-C4' energy: -45.935
flat angles C4'-P-C4' energy: -45.220
flat angles P-C4'-P energy: -32.678
tors. eta vs tors. theta energy: -50.283
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: 6
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -645.731427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.731427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.731427 (E_RNA)
where:
Base-Base interactions energy: -417.232
where: short stacking energy: -180.961
Base-Backbone interact. energy: -1.931
local terms energy: -226.568534
where:
bonds (distance) C4'-P energy: -46.365
bonds (distance) P-C4' energy: -52.790
flat angles C4'-P-C4' energy: -50.243
flat angles P-C4'-P energy: -34.116
tors. eta vs tors. theta energy: -43.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -664.641035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.641035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.641035 (E_RNA)
where:
Base-Base interactions energy: -436.418
where: short stacking energy: -188.913
Base-Backbone interact. energy: 0.028
local terms energy: -228.250865
where:
bonds (distance) C4'-P energy: -42.797
bonds (distance) P-C4' energy: -51.268
flat angles C4'-P-C4' energy: -52.208
flat angles P-C4'-P energy: -37.563
tors. eta vs tors. theta energy: -44.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -329.236089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.236089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.236089 (E_RNA)
where:
Base-Base interactions energy: -176.621
where: short stacking energy: -86.321
Base-Backbone interact. energy: -1.233
local terms energy: -151.381728
where:
bonds (distance) C4'-P energy: -30.273
bonds (distance) P-C4' energy: -47.080
flat angles C4'-P-C4' energy: -42.509
flat angles P-C4'-P energy: -24.892
tors. eta vs tors. theta energy: -6.628
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: 10, replica: 9
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -291.111305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.111305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.111305 (E_RNA)
where:
Base-Base interactions energy: -135.901
where: short stacking energy: -77.681
Base-Backbone interact. energy: 0.039
local terms energy: -155.249401
where:
bonds (distance) C4'-P energy: -46.620
bonds (distance) P-C4' energy: -43.770
flat angles C4'-P-C4' energy: -42.479
flat angles P-C4'-P energy: -29.119
tors. eta vs tors. theta energy: 6.739
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: 1, replica: 4
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -900.941562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.941562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.941562 (E_RNA)
where:
Base-Base interactions energy: -626.435
where: short stacking energy: -259.111
Base-Backbone interact. energy: -1.149
local terms energy: -273.357297
where:
bonds (distance) C4'-P energy: -48.852
bonds (distance) P-C4' energy: -56.696
flat angles C4'-P-C4' energy: -53.978
flat angles P-C4'-P energy: -39.122
tors. eta vs tors. theta energy: -74.709
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: 334
Temperature: 0.950000
Total energy: -884.376501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.376501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.376501 (E_RNA)
where:
Base-Base interactions energy: -610.156
where: short stacking energy: -274.351
Base-Backbone interact. energy: -1.686
local terms energy: -272.533919
where:
bonds (distance) C4'-P energy: -47.375
bonds (distance) P-C4' energy: -51.731
flat angles C4'-P-C4' energy: -59.857
flat angles P-C4'-P energy: -41.549
tors. eta vs tors. theta energy: -72.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -854.959037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.959037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.959037 (E_RNA)
where:
Base-Base interactions energy: -578.753
where: short stacking energy: -249.614
Base-Backbone interact. energy: -0.609
local terms energy: -275.597791
where:
bonds (distance) C4'-P energy: -56.007
bonds (distance) P-C4' energy: -56.442
flat angles C4'-P-C4' energy: -58.530
flat angles P-C4'-P energy: -35.227
tors. eta vs tors. theta energy: -69.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -834.023960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.023960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.023960 (E_RNA)
where:
Base-Base interactions energy: -566.200
where: short stacking energy: -244.880
Base-Backbone interact. energy: -0.337
local terms energy: -267.487758
where:
bonds (distance) C4'-P energy: -48.266
bonds (distance) P-C4' energy: -60.583
flat angles C4'-P-C4' energy: -50.191
flat angles P-C4'-P energy: -35.474
tors. eta vs tors. theta energy: -72.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -757.199371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.199371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.199371 (E_RNA)
where:
Base-Base interactions energy: -526.746
where: short stacking energy: -221.009
Base-Backbone interact. energy: -0.979
local terms energy: -229.474844
where:
bonds (distance) C4'-P energy: -40.465
bonds (distance) P-C4' energy: -55.317
flat angles C4'-P-C4' energy: -42.914
flat angles P-C4'-P energy: -36.100
tors. eta vs tors. theta energy: -54.679
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: 8
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -663.542107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.542107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.542107 (E_RNA)
where:
Base-Base interactions energy: -446.026
where: short stacking energy: -194.886
Base-Backbone interact. energy: -1.858
local terms energy: -215.657340
where:
bonds (distance) C4'-P energy: -40.758
bonds (distance) P-C4' energy: -44.254
flat angles C4'-P-C4' energy: -49.147
flat angles P-C4'-P energy: -34.620
tors. eta vs tors. theta energy: -46.878
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: 2
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -672.467125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.467125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.467125 (E_RNA)
where:
Base-Base interactions energy: -450.948
where: short stacking energy: -191.176
Base-Backbone interact. energy: -0.007
local terms energy: -221.512154
where:
bonds (distance) C4'-P energy: -48.566
bonds (distance) P-C4' energy: -51.617
flat angles C4'-P-C4' energy: -42.235
flat angles P-C4'-P energy: -31.662
tors. eta vs tors. theta energy: -47.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -648.948472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.948472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.948472 (E_RNA)
where:
Base-Base interactions energy: -438.800
where: short stacking energy: -185.696
Base-Backbone interact. energy: -1.337
local terms energy: -208.811853
where:
bonds (distance) C4'-P energy: -36.948
bonds (distance) P-C4' energy: -54.285
flat angles C4'-P-C4' energy: -49.354
flat angles P-C4'-P energy: -25.558
tors. eta vs tors. theta energy: -42.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -286.952003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.952003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.952003 (E_RNA)
where:
Base-Base interactions energy: -141.768
where: short stacking energy: -91.470
Base-Backbone interact. energy: 2.972
local terms energy: -148.156101
where:
bonds (distance) C4'-P energy: -47.890
bonds (distance) P-C4' energy: -54.983
flat angles C4'-P-C4' energy: -30.048
flat angles P-C4'-P energy: -16.910
tors. eta vs tors. theta energy: 1.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -322.140304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.140304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.140304 (E_RNA)
where:
Base-Base interactions energy: -169.769
where: short stacking energy: -93.960
Base-Backbone interact. energy: 0.629
local terms energy: -153.000340
where:
bonds (distance) C4'-P energy: -43.544
bonds (distance) P-C4' energy: -31.499
flat angles C4'-P-C4' energy: -40.741
flat angles P-C4'-P energy: -27.294
tors. eta vs tors. theta energy: -9.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -908.262607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.262607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.262607 (E_RNA)
where:
Base-Base interactions energy: -626.133
where: short stacking energy: -270.127
Base-Backbone interact. energy: -1.755
local terms energy: -280.375019
where:
bonds (distance) C4'-P energy: -54.600
bonds (distance) P-C4' energy: -59.533
flat angles C4'-P-C4' energy: -55.133
flat angles P-C4'-P energy: -35.960
tors. eta vs tors. theta energy: -75.148
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: 1
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -888.606991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.606991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.606991 (E_RNA)
where:
Base-Base interactions energy: -622.993
where: short stacking energy: -264.149
Base-Backbone interact. energy: -0.812
local terms energy: -264.801968
where:
bonds (distance) C4'-P energy: -48.677
bonds (distance) P-C4' energy: -51.447
flat angles C4'-P-C4' energy: -56.448
flat angles P-C4'-P energy: -33.586
tors. eta vs tors. theta energy: -74.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -846.585774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.585774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.585774 (E_RNA)
where:
Base-Base interactions energy: -578.545
where: short stacking energy: -260.626
Base-Backbone interact. energy: -0.621
local terms energy: -267.420555
where:
bonds (distance) C4'-P energy: -50.490
bonds (distance) P-C4' energy: -41.594
flat angles C4'-P-C4' energy: -59.889
flat angles P-C4'-P energy: -45.399
tors. eta vs tors. theta energy: -70.048
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: 5
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -810.588772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.588772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.588772 (E_RNA)
where:
Base-Base interactions energy: -548.675
where: short stacking energy: -237.821
Base-Backbone interact. energy: -1.643
local terms energy: -260.271594
where:
bonds (distance) C4'-P energy: -47.638
bonds (distance) P-C4' energy: -55.879
flat angles C4'-P-C4' energy: -57.315
flat angles P-C4'-P energy: -36.057
tors. eta vs tors. theta energy: -63.383
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: 7
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -766.398890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.398890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.398890 (E_RNA)
where:
Base-Base interactions energy: -536.478
where: short stacking energy: -227.992
Base-Backbone interact. energy: -1.829
local terms energy: -228.091237
where:
bonds (distance) C4'-P energy: -35.918
bonds (distance) P-C4' energy: -52.116
flat angles C4'-P-C4' energy: -51.769
flat angles P-C4'-P energy: -31.126
tors. eta vs tors. theta energy: -57.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -693.207778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.207778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.207778 (E_RNA)
where:
Base-Base interactions energy: -468.808
where: short stacking energy: -206.732
Base-Backbone interact. energy: -1.124
local terms energy: -223.275008
where:
bonds (distance) C4'-P energy: -40.054
bonds (distance) P-C4' energy: -50.117
flat angles C4'-P-C4' energy: -51.348
flat angles P-C4'-P energy: -26.121
tors. eta vs tors. theta energy: -55.636
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: 8
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -651.224669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.224669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.224669 (E_RNA)
where:
Base-Base interactions energy: -431.704
where: short stacking energy: -172.772
Base-Backbone interact. energy: -0.083
local terms energy: -219.437044
where:
bonds (distance) C4'-P energy: -46.413
bonds (distance) P-C4' energy: -45.899
flat angles C4'-P-C4' energy: -47.291
flat angles P-C4'-P energy: -38.205
tors. eta vs tors. theta energy: -41.628
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: 6
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -641.575755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.575755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.575755 (E_RNA)
where:
Base-Base interactions energy: -438.842
where: short stacking energy: -182.140
Base-Backbone interact. energy: -0.244
local terms energy: -202.490161
where:
bonds (distance) C4'-P energy: -36.542
bonds (distance) P-C4' energy: -42.212
flat angles C4'-P-C4' energy: -49.229
flat angles P-C4'-P energy: -33.671
tors. eta vs tors. theta energy: -40.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -334.022697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.022697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.022697 (E_RNA)
where:
Base-Base interactions energy: -192.901
where: short stacking energy: -104.448
Base-Backbone interact. energy: 6.617
local terms energy: -147.738940
where:
bonds (distance) C4'-P energy: -31.854
bonds (distance) P-C4' energy: -53.377
flat angles C4'-P-C4' energy: -35.762
flat angles P-C4'-P energy: -25.480
tors. eta vs tors. theta energy: -1.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -305.994845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.994845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.994845 (E_RNA)
where:
Base-Base interactions energy: -158.347
where: short stacking energy: -91.598
Base-Backbone interact. energy: 1.015
local terms energy: -148.662803
where:
bonds (distance) C4'-P energy: -37.077
bonds (distance) P-C4' energy: -47.061
flat angles C4'-P-C4' energy: -39.717
flat angles P-C4'-P energy: -17.270
tors. eta vs tors. theta energy: -7.537
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: 1, replica: 4
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -900.531060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.531060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.531060 (E_RNA)
where:
Base-Base interactions energy: -607.267
where: short stacking energy: -268.577
Base-Backbone interact. energy: -0.369
local terms energy: -292.894639
where:
bonds (distance) C4'-P energy: -54.616
bonds (distance) P-C4' energy: -57.840
flat angles C4'-P-C4' energy: -56.051
flat angles P-C4'-P energy: -47.047
tors. eta vs tors. theta energy: -77.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -887.082495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.082495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.082495 (E_RNA)
where:
Base-Base interactions energy: -631.136
where: short stacking energy: -266.922
Base-Backbone interact. energy: -0.465
local terms energy: -255.481134
where:
bonds (distance) C4'-P energy: -54.918
bonds (distance) P-C4' energy: -55.714
flat angles C4'-P-C4' energy: -45.361
flat angles P-C4'-P energy: -37.473
tors. eta vs tors. theta energy: -62.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -834.854184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.854184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.854184 (E_RNA)
where:
Base-Base interactions energy: -585.407
where: short stacking energy: -243.908
Base-Backbone interact. energy: -0.621
local terms energy: -248.826194
where:
bonds (distance) C4'-P energy: -42.993
bonds (distance) P-C4' energy: -55.075
flat angles C4'-P-C4' energy: -55.902
flat angles P-C4'-P energy: -32.941
tors. eta vs tors. theta energy: -61.915
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: 5
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -836.741265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.741265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.741265 (E_RNA)
where:
Base-Base interactions energy: -580.816
where: short stacking energy: -245.873
Base-Backbone interact. energy: 0.312
local terms energy: -256.237925
where:
bonds (distance) C4'-P energy: -50.021
bonds (distance) P-C4' energy: -47.398
flat angles C4'-P-C4' energy: -51.357
flat angles P-C4'-P energy: -36.590
tors. eta vs tors. theta energy: -70.871
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: 5, replica: 7
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -768.725541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.725541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.725541 (E_RNA)
where:
Base-Base interactions energy: -532.442
where: short stacking energy: -216.922
Base-Backbone interact. energy: 2.518
local terms energy: -238.801122
where:
bonds (distance) C4'-P energy: -45.939
bonds (distance) P-C4' energy: -53.867
flat angles C4'-P-C4' energy: -50.751
flat angles P-C4'-P energy: -31.504
tors. eta vs tors. theta energy: -56.740
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: 6, replica: 2
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -736.870913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.870913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.870913 (E_RNA)
where:
Base-Base interactions energy: -493.011
where: short stacking energy: -208.515
Base-Backbone interact. energy: -0.706
local terms energy: -243.154190
where:
bonds (distance) C4'-P energy: -55.006
bonds (distance) P-C4' energy: -45.819
flat angles C4'-P-C4' energy: -58.810
flat angles P-C4'-P energy: -32.631
tors. eta vs tors. theta energy: -50.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -638.267310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.267310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.267310 (E_RNA)
where:
Base-Base interactions energy: -435.350
where: short stacking energy: -180.752
Base-Backbone interact. energy: -0.489
local terms energy: -202.428267
where:
bonds (distance) C4'-P energy: -44.503
bonds (distance) P-C4' energy: -46.947
flat angles C4'-P-C4' energy: -43.720
flat angles P-C4'-P energy: -30.473
tors. eta vs tors. theta energy: -36.785
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: 8
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -620.744880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.744880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.744880 (E_RNA)
where:
Base-Base interactions energy: -400.465
where: short stacking energy: -168.302
Base-Backbone interact. energy: -0.420
local terms energy: -219.859340
where:
bonds (distance) C4'-P energy: -38.661
bonds (distance) P-C4' energy: -51.485
flat angles C4'-P-C4' energy: -49.872
flat angles P-C4'-P energy: -34.928
tors. eta vs tors. theta energy: -44.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -376.064734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.064734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.064734 (E_RNA)
where:
Base-Base interactions energy: -215.871
where: short stacking energy: -100.550
Base-Backbone interact. energy: 1.348
local terms energy: -161.541939
where:
bonds (distance) C4'-P energy: -38.595
bonds (distance) P-C4' energy: -46.149
flat angles C4'-P-C4' energy: -41.531
flat angles P-C4'-P energy: -24.033
tors. eta vs tors. theta energy: -11.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -309.256780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.256780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.256780 (E_RNA)
where:
Base-Base interactions energy: -144.364
where: short stacking energy: -79.794
Base-Backbone interact. energy: -0.382
local terms energy: -164.510711
where:
bonds (distance) C4'-P energy: -50.419
bonds (distance) P-C4' energy: -43.740
flat angles C4'-P-C4' energy: -46.081
flat angles P-C4'-P energy: -12.474
tors. eta vs tors. theta energy: -11.797
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: 4
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -917.439411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.439411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.439411 (E_RNA)
where:
Base-Base interactions energy: -636.338
where: short stacking energy: -281.473
Base-Backbone interact. energy: -0.118
local terms energy: -280.982897
where:
bonds (distance) C4'-P energy: -49.470
bonds (distance) P-C4' energy: -56.891
flat angles C4'-P-C4' energy: -55.981
flat angles P-C4'-P energy: -39.730
tors. eta vs tors. theta energy: -78.911
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: 337
Temperature: 0.950000
Total energy: -884.279187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.279187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.279187 (E_RNA)
where:
Base-Base interactions energy: -633.400
where: short stacking energy: -251.642
Base-Backbone interact. energy: -1.500
local terms energy: -249.379064
where:
bonds (distance) C4'-P energy: -52.726
bonds (distance) P-C4' energy: -47.356
flat angles C4'-P-C4' energy: -54.941
flat angles P-C4'-P energy: -29.146
tors. eta vs tors. theta energy: -65.211
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: 3, replica: 3
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -832.366838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.366838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.366838 (E_RNA)
where:
Base-Base interactions energy: -565.709
where: short stacking energy: -231.129
Base-Backbone interact. energy: -1.013
local terms energy: -265.644355
where:
bonds (distance) C4'-P energy: -54.917
bonds (distance) P-C4' energy: -54.382
flat angles C4'-P-C4' energy: -56.338
flat angles P-C4'-P energy: -38.488
tors. eta vs tors. theta energy: -61.519
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: 4, replica: 5
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -860.766104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.766104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.766104 (E_RNA)
where:
Base-Base interactions energy: -580.861
where: short stacking energy: -252.642
Base-Backbone interact. energy: 0.301
local terms energy: -280.206396
where:
bonds (distance) C4'-P energy: -51.537
bonds (distance) P-C4' energy: -51.965
flat angles C4'-P-C4' energy: -61.212
flat angles P-C4'-P energy: -42.363
tors. eta vs tors. theta energy: -73.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -736.866528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.866528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.866528 (E_RNA)
where:
Base-Base interactions energy: -508.809
where: short stacking energy: -224.701
Base-Backbone interact. energy: 1.172
local terms energy: -229.230149
where:
bonds (distance) C4'-P energy: -44.361
bonds (distance) P-C4' energy: -49.888
flat angles C4'-P-C4' energy: -51.213
flat angles P-C4'-P energy: -24.823
tors. eta vs tors. theta energy: -58.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -722.339424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.339424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.339424 (E_RNA)
where:
Base-Base interactions energy: -473.079
where: short stacking energy: -216.448
Base-Backbone interact. energy: -0.898
local terms energy: -248.361933
where:
bonds (distance) C4'-P energy: -50.112
bonds (distance) P-C4' energy: -44.681
flat angles C4'-P-C4' energy: -49.313
flat angles P-C4'-P energy: -41.366
tors. eta vs tors. theta energy: -62.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -690.363538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.363538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.363538 (E_RNA)
where:
Base-Base interactions energy: -467.471
where: short stacking energy: -199.508
Base-Backbone interact. energy: -1.228
local terms energy: -221.665083
where:
bonds (distance) C4'-P energy: -45.530
bonds (distance) P-C4' energy: -39.591
flat angles C4'-P-C4' energy: -45.663
flat angles P-C4'-P energy: -38.695
tors. eta vs tors. theta energy: -52.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -623.259672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.259672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.259672 (E_RNA)
where:
Base-Base interactions energy: -429.386
where: short stacking energy: -176.480
Base-Backbone interact. energy: 0.518
local terms energy: -194.391849
where:
bonds (distance) C4'-P energy: -30.959
bonds (distance) P-C4' energy: -45.497
flat angles C4'-P-C4' energy: -45.535
flat angles P-C4'-P energy: -27.896
tors. eta vs tors. theta energy: -44.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -366.220325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.220325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.220325 (E_RNA)
where:
Base-Base interactions energy: -198.875
where: short stacking energy: -91.437
Base-Backbone interact. energy: -1.436
local terms energy: -165.910162
where:
bonds (distance) C4'-P energy: -45.341
bonds (distance) P-C4' energy: -47.920
flat angles C4'-P-C4' energy: -32.814
flat angles P-C4'-P energy: -32.415
tors. eta vs tors. theta energy: -7.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -286.133707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.133707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.133707 (E_RNA)
where:
Base-Base interactions energy: -122.286
where: short stacking energy: -84.510
Base-Backbone interact. energy: -1.526
local terms energy: -162.320999
where:
bonds (distance) C4'-P energy: -38.951
bonds (distance) P-C4' energy: -46.707
flat angles C4'-P-C4' energy: -38.339
flat angles P-C4'-P energy: -24.635
tors. eta vs tors. theta energy: -13.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -915.367668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.367668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.367668 (E_RNA)
where:
Base-Base interactions energy: -624.668
where: short stacking energy: -270.741
Base-Backbone interact. energy: -1.800
local terms energy: -288.899321
where:
bonds (distance) C4'-P energy: -55.915
bonds (distance) P-C4' energy: -51.843
flat angles C4'-P-C4' energy: -63.954
flat angles P-C4'-P energy: -40.053
tors. eta vs tors. theta energy: -77.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -901.647516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.647516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.647516 (E_RNA)
where:
Base-Base interactions energy: -640.294
where: short stacking energy: -259.656
Base-Backbone interact. energy: -1.476
local terms energy: -259.877609
where:
bonds (distance) C4'-P energy: -52.085
bonds (distance) P-C4' energy: -44.717
flat angles C4'-P-C4' energy: -55.288
flat angles P-C4'-P energy: -39.385
tors. eta vs tors. theta energy: -68.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -862.200767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.200767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.200767 (E_RNA)
where:
Base-Base interactions energy: -609.511
where: short stacking energy: -262.527
Base-Backbone interact. energy: -0.652
local terms energy: -252.037685
where:
bonds (distance) C4'-P energy: -54.496
bonds (distance) P-C4' energy: -41.268
flat angles C4'-P-C4' energy: -52.570
flat angles P-C4'-P energy: -32.191
tors. eta vs tors. theta energy: -71.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -801.857573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.857573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.857573 (E_RNA)
where:
Base-Base interactions energy: -532.588
where: short stacking energy: -237.950
Base-Backbone interact. energy: -0.774
local terms energy: -268.495195
where:
bonds (distance) C4'-P energy: -50.839
bonds (distance) P-C4' energy: -56.373
flat angles C4'-P-C4' energy: -56.461
flat angles P-C4'-P energy: -42.304
tors. eta vs tors. theta energy: -62.517
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: 2
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -770.849702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.849702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.849702 (E_RNA)
where:
Base-Base interactions energy: -517.557
where: short stacking energy: -224.724
Base-Backbone interact. energy: 2.979
local terms energy: -256.272301
where:
bonds (distance) C4'-P energy: -45.058
bonds (distance) P-C4' energy: -50.891
flat angles C4'-P-C4' energy: -56.891
flat angles P-C4'-P energy: -40.271
tors. eta vs tors. theta energy: -63.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -703.683793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.683793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.683793 (E_RNA)
where:
Base-Base interactions energy: -492.789
where: short stacking energy: -185.771
Base-Backbone interact. energy: 0.868
local terms energy: -211.762979
where:
bonds (distance) C4'-P energy: -42.761
bonds (distance) P-C4' energy: -48.155
flat angles C4'-P-C4' energy: -48.116
flat angles P-C4'-P energy: -27.889
tors. eta vs tors. theta energy: -44.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -702.149610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.149610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.149610 (E_RNA)
where:
Base-Base interactions energy: -471.623
where: short stacking energy: -183.508
Base-Backbone interact. energy: 0.575
local terms energy: -231.101557
where:
bonds (distance) C4'-P energy: -46.585
bonds (distance) P-C4' energy: -49.062
flat angles C4'-P-C4' energy: -57.164
flat angles P-C4'-P energy: -28.408
tors. eta vs tors. theta energy: -49.881
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: 8
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -659.571940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.571940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.571940 (E_RNA)
where:
Base-Base interactions energy: -452.303
where: short stacking energy: -182.894
Base-Backbone interact. energy: -0.196
local terms energy: -207.073059
where:
bonds (distance) C4'-P energy: -48.618
bonds (distance) P-C4' energy: -47.832
flat angles C4'-P-C4' energy: -43.996
flat angles P-C4'-P energy: -30.101
tors. eta vs tors. theta energy: -36.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -364.231069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.231069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.231069 (E_RNA)
where:
Base-Base interactions energy: -185.707
where: short stacking energy: -100.686
Base-Backbone interact. energy: -0.930
local terms energy: -177.594826
where:
bonds (distance) C4'-P energy: -52.164
bonds (distance) P-C4' energy: -53.981
flat angles C4'-P-C4' energy: -40.910
flat angles P-C4'-P energy: -26.932
tors. eta vs tors. theta energy: -3.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -304.018123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.018123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.018123 (E_RNA)
where:
Base-Base interactions energy: -160.032
where: short stacking energy: -88.617
Base-Backbone interact. energy: 3.349
local terms energy: -147.334596
where:
bonds (distance) C4'-P energy: -39.013
bonds (distance) P-C4' energy: -42.594
flat angles C4'-P-C4' energy: -44.495
flat angles P-C4'-P energy: -16.501
tors. eta vs tors. theta energy: -4.731
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: 4
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -920.344518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.344518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.344518 (E_RNA)
where:
Base-Base interactions energy: -634.527
where: short stacking energy: -271.711
Base-Backbone interact. energy: -0.856
local terms energy: -284.961955
where:
bonds (distance) C4'-P energy: -45.992
bonds (distance) P-C4' energy: -57.232
flat angles C4'-P-C4' energy: -64.807
flat angles P-C4'-P energy: -42.130
tors. eta vs tors. theta energy: -74.801
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: 1
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -888.313683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.313683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.313683 (E_RNA)
where:
Base-Base interactions energy: -627.267
where: short stacking energy: -240.616
Base-Backbone interact. energy: -2.796
local terms energy: -258.250921
where:
bonds (distance) C4'-P energy: -49.373
bonds (distance) P-C4' energy: -50.085
flat angles C4'-P-C4' energy: -58.495
flat angles P-C4'-P energy: -40.640
tors. eta vs tors. theta energy: -59.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -881.779994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.779994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.779994 (E_RNA)
where:
Base-Base interactions energy: -608.262
where: short stacking energy: -240.146
Base-Backbone interact. energy: -2.926
local terms energy: -270.591956
where:
bonds (distance) C4'-P energy: -47.203
bonds (distance) P-C4' energy: -56.808
flat angles C4'-P-C4' energy: -59.749
flat angles P-C4'-P energy: -39.252
tors. eta vs tors. theta energy: -67.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -782.911357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.911357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.911357 (E_RNA)
where:
Base-Base interactions energy: -529.556
where: short stacking energy: -232.217
Base-Backbone interact. energy: -1.440
local terms energy: -251.915369
where:
bonds (distance) C4'-P energy: -49.422
bonds (distance) P-C4' energy: -50.148
flat angles C4'-P-C4' energy: -53.285
flat angles P-C4'-P energy: -37.873
tors. eta vs tors. theta energy: -61.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -763.657178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.657178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.657178 (E_RNA)
where:
Base-Base interactions energy: -508.634
where: short stacking energy: -219.965
Base-Backbone interact. energy: 0.338
local terms energy: -255.360361
where:
bonds (distance) C4'-P energy: -51.102
bonds (distance) P-C4' energy: -50.247
flat angles C4'-P-C4' energy: -54.497
flat angles P-C4'-P energy: -39.273
tors. eta vs tors. theta energy: -60.241
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: 6, replica: 7
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -706.904030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.904030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.904030 (E_RNA)
where:
Base-Base interactions energy: -471.478
where: short stacking energy: -194.588
Base-Backbone interact. energy: 1.111
local terms energy: -236.537471
where:
bonds (distance) C4'-P energy: -42.997
bonds (distance) P-C4' energy: -47.386
flat angles C4'-P-C4' energy: -44.791
flat angles P-C4'-P energy: -40.780
tors. eta vs tors. theta energy: -60.583
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: 7, replica: 6
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -685.355811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.355811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.355811 (E_RNA)
where:
Base-Base interactions energy: -485.819
where: short stacking energy: -208.214
Base-Backbone interact. energy: -1.335
local terms energy: -198.202147
where:
bonds (distance) C4'-P energy: -34.832
bonds (distance) P-C4' energy: -40.061
flat angles C4'-P-C4' energy: -47.639
flat angles P-C4'-P energy: -27.389
tors. eta vs tors. theta energy: -48.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -576.698759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.698759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.698759 (E_RNA)
where:
Base-Base interactions energy: -382.523
where: short stacking energy: -172.728
Base-Backbone interact. energy: 0.645
local terms energy: -194.820221
where:
bonds (distance) C4'-P energy: -36.502
bonds (distance) P-C4' energy: -39.836
flat angles C4'-P-C4' energy: -44.874
flat angles P-C4'-P energy: -34.203
tors. eta vs tors. theta energy: -39.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -378.543166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.543166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.543166 (E_RNA)
where:
Base-Base interactions energy: -235.133
where: short stacking energy: -106.320
Base-Backbone interact. energy: 0.152
local terms energy: -143.562422
where:
bonds (distance) C4'-P energy: -51.560
bonds (distance) P-C4' energy: -43.799
flat angles C4'-P-C4' energy: -30.244
flat angles P-C4'-P energy: -21.989
tors. eta vs tors. theta energy: 4.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -294.402023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.402023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.402023 (E_RNA)
where:
Base-Base interactions energy: -152.162
where: short stacking energy: -83.138
Base-Backbone interact. energy: -0.329
local terms energy: -141.911243
where:
bonds (distance) C4'-P energy: -39.748
bonds (distance) P-C4' energy: -48.905
flat angles C4'-P-C4' energy: -35.048
flat angles P-C4'-P energy: -19.066
tors. eta vs tors. theta energy: 0.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -889.372893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.372893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.372893 (E_RNA)
where:
Base-Base interactions energy: -618.445
where: short stacking energy: -264.528
Base-Backbone interact. energy: -1.644
local terms energy: -269.284178
where:
bonds (distance) C4'-P energy: -54.320
bonds (distance) P-C4' energy: -54.895
flat angles C4'-P-C4' energy: -58.977
flat angles P-C4'-P energy: -37.379
tors. eta vs tors. theta energy: -63.713
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: 4
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -906.316341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.316341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.316341 (E_RNA)
where:
Base-Base interactions energy: -615.448
where: short stacking energy: -261.262
Base-Backbone interact. energy: 0.907
local terms energy: -291.776010
where:
bonds (distance) C4'-P energy: -53.122
bonds (distance) P-C4' energy: -54.255
flat angles C4'-P-C4' energy: -67.689
flat angles P-C4'-P energy: -43.492
tors. eta vs tors. theta energy: -73.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -868.398139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.398139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.398139 (E_RNA)
where:
Base-Base interactions energy: -592.995
where: short stacking energy: -255.482
Base-Backbone interact. energy: 0.577
local terms energy: -275.980120
where:
bonds (distance) C4'-P energy: -56.690
bonds (distance) P-C4' energy: -53.189
flat angles C4'-P-C4' energy: -60.760
flat angles P-C4'-P energy: -35.699
tors. eta vs tors. theta energy: -69.642
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: 3
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -817.977774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.977774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.977774 (E_RNA)
where:
Base-Base interactions energy: -562.527
where: short stacking energy: -248.773
Base-Backbone interact. energy: 1.773
local terms energy: -257.224199
where:
bonds (distance) C4'-P energy: -45.244
bonds (distance) P-C4' energy: -50.276
flat angles C4'-P-C4' energy: -55.853
flat angles P-C4'-P energy: -42.818
tors. eta vs tors. theta energy: -63.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -761.233111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.233111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.233111 (E_RNA)
where:
Base-Base interactions energy: -508.322
where: short stacking energy: -226.633
Base-Backbone interact. energy: -1.078
local terms energy: -251.833572
where:
bonds (distance) C4'-P energy: -44.308
bonds (distance) P-C4' energy: -48.286
flat angles C4'-P-C4' energy: -55.771
flat angles P-C4'-P energy: -36.608
tors. eta vs tors. theta energy: -66.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -709.453815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.453815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.453815 (E_RNA)
where:
Base-Base interactions energy: -482.016
where: short stacking energy: -185.294
Base-Backbone interact. energy: -1.056
local terms energy: -226.381715
where:
bonds (distance) C4'-P energy: -45.485
bonds (distance) P-C4' energy: -48.121
flat angles C4'-P-C4' energy: -42.910
flat angles P-C4'-P energy: -35.653
tors. eta vs tors. theta energy: -54.213
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: 7, replica: 6
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -641.404261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.404261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.404261 (E_RNA)
where:
Base-Base interactions energy: -424.493
where: short stacking energy: -187.986
Base-Backbone interact. energy: 1.408
local terms energy: -218.318873
where:
bonds (distance) C4'-P energy: -56.234
bonds (distance) P-C4' energy: -48.385
flat angles C4'-P-C4' energy: -45.641
flat angles P-C4'-P energy: -21.853
tors. eta vs tors. theta energy: -46.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -599.297292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.297292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.297292 (E_RNA)
where:
Base-Base interactions energy: -396.931
where: short stacking energy: -151.931
Base-Backbone interact. energy: -2.133
local terms energy: -200.232651
where:
bonds (distance) C4'-P energy: -42.643
bonds (distance) P-C4' energy: -57.262
flat angles C4'-P-C4' energy: -49.545
flat angles P-C4'-P energy: -25.668
tors. eta vs tors. theta energy: -25.116
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: 9
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -299.953072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.953072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.953072 (E_RNA)
where:
Base-Base interactions energy: -141.052
where: short stacking energy: -98.351
Base-Backbone interact. energy: 2.045
local terms energy: -160.945674
where:
bonds (distance) C4'-P energy: -42.424
bonds (distance) P-C4' energy: -51.803
flat angles C4'-P-C4' energy: -40.002
flat angles P-C4'-P energy: -22.823
tors. eta vs tors. theta energy: -3.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -323.806195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.806195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.806195 (E_RNA)
where:
Base-Base interactions energy: -182.659
where: short stacking energy: -81.577
Base-Backbone interact. energy: -0.368
local terms energy: -140.779022
where:
bonds (distance) C4'-P energy: -42.929
bonds (distance) P-C4' energy: -51.438
flat angles C4'-P-C4' energy: -27.406
flat angles P-C4'-P energy: -17.800
tors. eta vs tors. theta energy: -1.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -889.090872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.090872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.090872 (E_RNA)
where:
Base-Base interactions energy: -616.124
where: short stacking energy: -260.704
Base-Backbone interact. energy: -1.231
local terms energy: -271.735493
where:
bonds (distance) C4'-P energy: -51.167
bonds (distance) P-C4' energy: -50.786
flat angles C4'-P-C4' energy: -61.609
flat angles P-C4'-P energy: -36.776
tors. eta vs tors. theta energy: -71.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -884.279313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.279313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.279313 (E_RNA)
where:
Base-Base interactions energy: -607.862
where: short stacking energy: -255.996
Base-Backbone interact. energy: -1.730
local terms energy: -274.687377
where:
bonds (distance) C4'-P energy: -44.693
bonds (distance) P-C4' energy: -54.462
flat angles C4'-P-C4' energy: -60.467
flat angles P-C4'-P energy: -40.454
tors. eta vs tors. theta energy: -74.612
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: 4
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -892.681286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.681286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.681286 (E_RNA)
where:
Base-Base interactions energy: -621.842
where: short stacking energy: -263.259
Base-Backbone interact. energy: -0.920
local terms energy: -269.918808
where:
bonds (distance) C4'-P energy: -51.752
bonds (distance) P-C4' energy: -45.041
flat angles C4'-P-C4' energy: -57.126
flat angles P-C4'-P energy: -41.979
tors. eta vs tors. theta energy: -74.020
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: 4, replica: 3
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -828.648729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.648729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.648729 (E_RNA)
where:
Base-Base interactions energy: -580.432
where: short stacking energy: -250.935
Base-Backbone interact. energy: -1.595
local terms energy: -246.621758
where:
bonds (distance) C4'-P energy: -47.754
bonds (distance) P-C4' energy: -49.294
flat angles C4'-P-C4' energy: -48.618
flat angles P-C4'-P energy: -31.087
tors. eta vs tors. theta energy: -69.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -750.428143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.428143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.428143 (E_RNA)
where:
Base-Base interactions energy: -498.887
where: short stacking energy: -230.228
Base-Backbone interact. energy: 1.116
local terms energy: -252.657516
where:
bonds (distance) C4'-P energy: -48.886
bonds (distance) P-C4' energy: -46.678
flat angles C4'-P-C4' energy: -61.494
flat angles P-C4'-P energy: -35.619
tors. eta vs tors. theta energy: -59.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -722.073239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.073239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.073239 (E_RNA)
where:
Base-Base interactions energy: -479.635
where: short stacking energy: -211.153
Base-Backbone interact. energy: -1.053
local terms energy: -241.385458
where:
bonds (distance) C4'-P energy: -47.756
bonds (distance) P-C4' energy: -51.046
flat angles C4'-P-C4' energy: -51.122
flat angles P-C4'-P energy: -36.170
tors. eta vs tors. theta energy: -55.292
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: 7, replica: 6
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -659.815603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.815603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.815603 (E_RNA)
where:
Base-Base interactions energy: -437.292
where: short stacking energy: -184.604
Base-Backbone interact. energy: 0.197
local terms energy: -222.719824
where:
bonds (distance) C4'-P energy: -47.971
bonds (distance) P-C4' energy: -49.500
flat angles C4'-P-C4' energy: -47.891
flat angles P-C4'-P energy: -34.647
tors. eta vs tors. theta energy: -42.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -590.325137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.325137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.325137 (E_RNA)
where:
Base-Base interactions energy: -395.997
where: short stacking energy: -157.724
Base-Backbone interact. energy: -1.504
local terms energy: -192.824246
where:
bonds (distance) C4'-P energy: -43.161
bonds (distance) P-C4' energy: -49.757
flat angles C4'-P-C4' energy: -45.594
flat angles P-C4'-P energy: -22.608
tors. eta vs tors. theta energy: -31.705
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: 9, replica: 9
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -310.738081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.738081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.738081 (E_RNA)
where:
Base-Base interactions energy: -145.931
where: short stacking energy: -89.898
Base-Backbone interact. energy: -1.125
local terms energy: -163.682675
where:
bonds (distance) C4'-P energy: -55.671
bonds (distance) P-C4' energy: -43.163
flat angles C4'-P-C4' energy: -42.020
flat angles P-C4'-P energy: -28.007
tors. eta vs tors. theta energy: 5.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -268.811838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.811838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.811838 (E_RNA)
where:
Base-Base interactions energy: -108.286
where: short stacking energy: -55.490
Base-Backbone interact. energy: -0.857
local terms energy: -159.668304
where:
bonds (distance) C4'-P energy: -45.292
bonds (distance) P-C4' energy: -52.999
flat angles C4'-P-C4' energy: -36.423
flat angles P-C4'-P energy: -29.012
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: 342
Temperature: 0.900000
Total energy: -908.050588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.050588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.050588 (E_RNA)
where:
Base-Base interactions energy: -635.753
where: short stacking energy: -263.691
Base-Backbone interact. energy: -0.441
local terms energy: -271.857217
where:
bonds (distance) C4'-P energy: -54.017
bonds (distance) P-C4' energy: -51.318
flat angles C4'-P-C4' energy: -58.951
flat angles P-C4'-P energy: -42.112
tors. eta vs tors. theta energy: -65.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -890.256693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.256693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.256693 (E_RNA)
where:
Base-Base interactions energy: -611.651
where: short stacking energy: -259.764
Base-Backbone interact. energy: 0.183
local terms energy: -278.788416
where:
bonds (distance) C4'-P energy: -63.395
bonds (distance) P-C4' energy: -50.604
flat angles C4'-P-C4' energy: -58.481
flat angles P-C4'-P energy: -30.527
tors. eta vs tors. theta energy: -75.782
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: 4
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -895.638744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.638744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.638744 (E_RNA)
where:
Base-Base interactions energy: -625.466
where: short stacking energy: -270.789
Base-Backbone interact. energy: -0.766
local terms energy: -269.406899
where:
bonds (distance) C4'-P energy: -45.007
bonds (distance) P-C4' energy: -54.145
flat angles C4'-P-C4' energy: -58.833
flat angles P-C4'-P energy: -40.236
tors. eta vs tors. theta energy: -71.186
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: 4, replica: 3
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -824.602392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.602392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.602392 (E_RNA)
where:
Base-Base interactions energy: -564.697
where: short stacking energy: -238.554
Base-Backbone interact. energy: -1.435
local terms energy: -258.471082
where:
bonds (distance) C4'-P energy: -53.212
bonds (distance) P-C4' energy: -56.713
flat angles C4'-P-C4' energy: -55.985
flat angles P-C4'-P energy: -27.769
tors. eta vs tors. theta energy: -64.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -779.650097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.650097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.650097 (E_RNA)
where:
Base-Base interactions energy: -529.109
where: short stacking energy: -228.055
Base-Backbone interact. energy: 1.067
local terms energy: -251.607909
where:
bonds (distance) C4'-P energy: -45.518
bonds (distance) P-C4' energy: -45.587
flat angles C4'-P-C4' energy: -54.849
flat angles P-C4'-P energy: -29.290
tors. eta vs tors. theta energy: -76.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -639.970683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.970683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.970683 (E_RNA)
where:
Base-Base interactions energy: -418.701
where: short stacking energy: -193.125
Base-Backbone interact. energy: -0.879
local terms energy: -220.390683
where:
bonds (distance) C4'-P energy: -45.542
bonds (distance) P-C4' energy: -50.800
flat angles C4'-P-C4' energy: -40.909
flat angles P-C4'-P energy: -37.004
tors. eta vs tors. theta energy: -46.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -620.826002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.826002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.826002 (E_RNA)
where:
Base-Base interactions energy: -409.079
where: short stacking energy: -171.345
Base-Backbone interact. energy: -0.274
local terms energy: -211.473280
where:
bonds (distance) C4'-P energy: -32.411
bonds (distance) P-C4' energy: -54.149
flat angles C4'-P-C4' energy: -50.268
flat angles P-C4'-P energy: -37.099
tors. eta vs tors. theta energy: -37.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -599.072281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.072281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.072281 (E_RNA)
where:
Base-Base interactions energy: -401.851
where: short stacking energy: -174.699
Base-Backbone interact. energy: -0.559
local terms energy: -196.661770
where:
bonds (distance) C4'-P energy: -39.764
bonds (distance) P-C4' energy: -44.762
flat angles C4'-P-C4' energy: -36.993
flat angles P-C4'-P energy: -35.832
tors. eta vs tors. theta energy: -39.311
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: 10
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -237.663706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.663706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.663706 (E_RNA)
where:
Base-Base interactions energy: -79.237
where: short stacking energy: -71.150
Base-Backbone interact. energy: 0.189
local terms energy: -158.615924
where:
bonds (distance) C4'-P energy: -47.630
bonds (distance) P-C4' energy: -47.988
flat angles C4'-P-C4' energy: -44.419
flat angles P-C4'-P energy: -25.249
tors. eta vs tors. theta energy: 6.669
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: 9
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -308.381612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.381612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.381612 (E_RNA)
where:
Base-Base interactions energy: -147.006
where: short stacking energy: -78.658
Base-Backbone interact. energy: 0.664
local terms energy: -162.039082
where:
bonds (distance) C4'-P energy: -36.980
bonds (distance) P-C4' energy: -45.670
flat angles C4'-P-C4' energy: -44.451
flat angles P-C4'-P energy: -29.083
tors. eta vs tors. theta energy: -5.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -877.589465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.589465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.589465 (E_RNA)
where:
Base-Base interactions energy: -608.612
where: short stacking energy: -268.929
Base-Backbone interact. energy: -2.798
local terms energy: -266.179624
where:
bonds (distance) C4'-P energy: -48.567
bonds (distance) P-C4' energy: -49.699
flat angles C4'-P-C4' energy: -53.626
flat angles P-C4'-P energy: -40.704
tors. eta vs tors. theta energy: -73.583
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: 5
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -900.276625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.276625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.276625 (E_RNA)
where:
Base-Base interactions energy: -615.567
where: short stacking energy: -266.268
Base-Backbone interact. energy: 1.005
local terms energy: -285.715443
where:
bonds (distance) C4'-P energy: -49.588
bonds (distance) P-C4' energy: -51.907
flat angles C4'-P-C4' energy: -62.310
flat angles P-C4'-P energy: -49.444
tors. eta vs tors. theta energy: -72.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -875.034167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.034167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.034167 (E_RNA)
where:
Base-Base interactions energy: -593.606
where: short stacking energy: -257.632
Base-Backbone interact. energy: -0.471
local terms energy: -280.957453
where:
bonds (distance) C4'-P energy: -54.638
bonds (distance) P-C4' energy: -55.226
flat angles C4'-P-C4' energy: -57.788
flat angles P-C4'-P energy: -37.994
tors. eta vs tors. theta energy: -75.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -843.119158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.119158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.119158 (E_RNA)
where:
Base-Base interactions energy: -573.200
where: short stacking energy: -253.094
Base-Backbone interact. energy: 0.265
local terms energy: -270.183833
where:
bonds (distance) C4'-P energy: -51.242
bonds (distance) P-C4' energy: -54.566
flat angles C4'-P-C4' energy: -50.143
flat angles P-C4'-P energy: -41.051
tors. eta vs tors. theta energy: -73.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -796.719184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.719184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.719184 (E_RNA)
where:
Base-Base interactions energy: -549.995
where: short stacking energy: -242.911
Base-Backbone interact. energy: -0.126
local terms energy: -246.598380
where:
bonds (distance) C4'-P energy: -47.877
bonds (distance) P-C4' energy: -43.134
flat angles C4'-P-C4' energy: -58.194
flat angles P-C4'-P energy: -33.238
tors. eta vs tors. theta energy: -64.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -675.907147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.907147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.907147 (E_RNA)
where:
Base-Base interactions energy: -446.973
where: short stacking energy: -208.207
Base-Backbone interact. energy: 0.759
local terms energy: -229.692868
where:
bonds (distance) C4'-P energy: -46.168
bonds (distance) P-C4' energy: -42.136
flat angles C4'-P-C4' energy: -49.233
flat angles P-C4'-P energy: -33.514
tors. eta vs tors. theta energy: -58.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -627.844625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.844625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.844625 (E_RNA)
where:
Base-Base interactions energy: -406.724
where: short stacking energy: -174.910
Base-Backbone interact. energy: -1.335
local terms energy: -219.785722
where:
bonds (distance) C4'-P energy: -47.650
bonds (distance) P-C4' energy: -49.156
flat angles C4'-P-C4' energy: -42.455
flat angles P-C4'-P energy: -39.410
tors. eta vs tors. theta energy: -41.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -599.958123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.958123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.958123 (E_RNA)
where:
Base-Base interactions energy: -375.453
where: short stacking energy: -163.115
Base-Backbone interact. energy: -0.373
local terms energy: -224.131818
where:
bonds (distance) C4'-P energy: -46.589
bonds (distance) P-C4' energy: -47.807
flat angles C4'-P-C4' energy: -53.091
flat angles P-C4'-P energy: -35.712
tors. eta vs tors. theta energy: -40.933
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: 10
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -213.780827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.780827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.780827 (E_RNA)
where:
Base-Base interactions energy: -85.539
where: short stacking energy: -74.334
Base-Backbone interact. energy: -1.812
local terms energy: -126.429797
where:
bonds (distance) C4'-P energy: -38.636
bonds (distance) P-C4' energy: -50.760
flat angles C4'-P-C4' energy: -30.667
flat angles P-C4'-P energy: -16.005
tors. eta vs tors. theta energy: 9.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -297.967544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.967544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.967544 (E_RNA)
where:
Base-Base interactions energy: -148.557
where: short stacking energy: -91.120
Base-Backbone interact. energy: -0.460
local terms energy: -148.950515
where:
bonds (distance) C4'-P energy: -32.863
bonds (distance) P-C4' energy: -40.748
flat angles C4'-P-C4' energy: -42.629
flat angles P-C4'-P energy: -27.030
tors. eta vs tors. theta energy: -5.680
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: 1
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -898.900749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.900749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.900749 (E_RNA)
where:
Base-Base interactions energy: -619.745
where: short stacking energy: -257.790
Base-Backbone interact. energy: -2.366
local terms energy: -276.789649
where:
bonds (distance) C4'-P energy: -54.554
bonds (distance) P-C4' energy: -47.148
flat angles C4'-P-C4' energy: -60.106
flat angles P-C4'-P energy: -44.926
tors. eta vs tors. theta energy: -70.055
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: 5
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -877.368682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.368682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.368682 (E_RNA)
where:
Base-Base interactions energy: -594.264
where: short stacking energy: -251.677
Base-Backbone interact. energy: -1.220
local terms energy: -281.883836
where:
bonds (distance) C4'-P energy: -52.091
bonds (distance) P-C4' energy: -53.858
flat angles C4'-P-C4' energy: -53.670
flat angles P-C4'-P energy: -45.273
tors. eta vs tors. theta energy: -76.992
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: 344
Temperature: 1.000000
Total energy: -849.583954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.583954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.583954 (E_RNA)
where:
Base-Base interactions energy: -585.259
where: short stacking energy: -251.663
Base-Backbone interact. energy: -1.043
local terms energy: -263.281842
where:
bonds (distance) C4'-P energy: -54.658
bonds (distance) P-C4' energy: -48.016
flat angles C4'-P-C4' energy: -54.894
flat angles P-C4'-P energy: -40.802
tors. eta vs tors. theta energy: -64.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -820.001104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.001104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.001104 (E_RNA)
where:
Base-Base interactions energy: -559.882
where: short stacking energy: -230.154
Base-Backbone interact. energy: -0.496
local terms energy: -259.622623
where:
bonds (distance) C4'-P energy: -39.378
bonds (distance) P-C4' energy: -51.971
flat angles C4'-P-C4' energy: -59.258
flat angles P-C4'-P energy: -46.033
tors. eta vs tors. theta energy: -62.983
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: 2
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -802.557947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.557947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.557947 (E_RNA)
where:
Base-Base interactions energy: -551.192
where: short stacking energy: -245.503
Base-Backbone interact. energy: -0.274
local terms energy: -251.091751
where:
bonds (distance) C4'-P energy: -40.854
bonds (distance) P-C4' energy: -46.462
flat angles C4'-P-C4' energy: -58.192
flat angles P-C4'-P energy: -35.560
tors. eta vs tors. theta energy: -70.023
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: 7
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -655.587292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.587292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.587292 (E_RNA)
where:
Base-Base interactions energy: -439.152
where: short stacking energy: -192.997
Base-Backbone interact. energy: 0.649
local terms energy: -217.084682
where:
bonds (distance) C4'-P energy: -38.727
bonds (distance) P-C4' energy: -47.714
flat angles C4'-P-C4' energy: -51.783
flat angles P-C4'-P energy: -32.556
tors. eta vs tors. theta energy: -46.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -664.382103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.382103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.382103 (E_RNA)
where:
Base-Base interactions energy: -445.414
where: short stacking energy: -183.660
Base-Backbone interact. energy: 0.559
local terms energy: -219.527192
where:
bonds (distance) C4'-P energy: -45.268
bonds (distance) P-C4' energy: -48.823
flat angles C4'-P-C4' energy: -49.727
flat angles P-C4'-P energy: -37.449
tors. eta vs tors. theta energy: -38.261
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: 8
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -557.423117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.423117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.423117 (E_RNA)
where:
Base-Base interactions energy: -367.554
where: short stacking energy: -149.779
Base-Backbone interact. energy: -0.760
local terms energy: -189.109624
where:
bonds (distance) C4'-P energy: -30.497
bonds (distance) P-C4' energy: -54.220
flat angles C4'-P-C4' energy: -45.370
flat angles P-C4'-P energy: -32.353
tors. eta vs tors. theta energy: -26.669
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: 9
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -306.059942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.059942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.059942 (E_RNA)
where:
Base-Base interactions energy: -158.130
where: short stacking energy: -97.740
Base-Backbone interact. energy: -0.150
local terms energy: -147.780306
where:
bonds (distance) C4'-P energy: -37.773
bonds (distance) P-C4' energy: -48.501
flat angles C4'-P-C4' energy: -33.085
flat angles P-C4'-P energy: -17.607
tors. eta vs tors. theta energy: -10.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -222.613514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.613514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.613514 (E_RNA)
where:
Base-Base interactions energy: -57.367
where: short stacking energy: -51.580
Base-Backbone interact. energy: 0.522
local terms energy: -165.768082
where:
bonds (distance) C4'-P energy: -48.946
bonds (distance) P-C4' energy: -44.880
flat angles C4'-P-C4' energy: -37.754
flat angles P-C4'-P energy: -35.082
tors. eta vs tors. theta energy: 0.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -896.102249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.102249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.102249 (E_RNA)
where:
Base-Base interactions energy: -614.343
where: short stacking energy: -249.265
Base-Backbone interact. energy: 5.155
local terms energy: -286.914720
where:
bonds (distance) C4'-P energy: -57.745
bonds (distance) P-C4' energy: -57.386
flat angles C4'-P-C4' energy: -53.272
flat angles P-C4'-P energy: -43.310
tors. eta vs tors. theta energy: -75.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -897.567969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.567969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.567969 (E_RNA)
where:
Base-Base interactions energy: -606.721
where: short stacking energy: -268.616
Base-Backbone interact. energy: 0.682
local terms energy: -291.529262
where:
bonds (distance) C4'-P energy: -53.072
bonds (distance) P-C4' energy: -58.096
flat angles C4'-P-C4' energy: -63.805
flat angles P-C4'-P energy: -39.351
tors. eta vs tors. theta energy: -77.205
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: 345
Temperature: 1.000000
Total energy: -855.685506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.685506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.685506 (E_RNA)
where:
Base-Base interactions energy: -576.494
where: short stacking energy: -252.863
Base-Backbone interact. energy: -2.336
local terms energy: -276.855803
where:
bonds (distance) C4'-P energy: -50.526
bonds (distance) P-C4' energy: -54.186
flat angles C4'-P-C4' energy: -54.145
flat angles P-C4'-P energy: -37.268
tors. eta vs tors. theta energy: -80.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -829.352668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.352668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.352668 (E_RNA)
where:
Base-Base interactions energy: -566.832
where: short stacking energy: -256.385
Base-Backbone interact. energy: -1.476
local terms energy: -261.044894
where:
bonds (distance) C4'-P energy: -52.233
bonds (distance) P-C4' energy: -46.428
flat angles C4'-P-C4' energy: -56.216
flat angles P-C4'-P energy: -38.413
tors. eta vs tors. theta energy: -67.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -789.842009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.842009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.842009 (E_RNA)
where:
Base-Base interactions energy: -543.750
where: short stacking energy: -223.442
Base-Backbone interact. energy: 0.385
local terms energy: -246.476423
where:
bonds (distance) C4'-P energy: -47.856
bonds (distance) P-C4' energy: -52.256
flat angles C4'-P-C4' energy: -53.491
flat angles P-C4'-P energy: -34.273
tors. eta vs tors. theta energy: -58.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -686.004225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.004225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.004225 (E_RNA)
where:
Base-Base interactions energy: -473.177
where: short stacking energy: -215.641
Base-Backbone interact. energy: -0.650
local terms energy: -212.177163
where:
bonds (distance) C4'-P energy: -42.851
bonds (distance) P-C4' energy: -46.855
flat angles C4'-P-C4' energy: -43.422
flat angles P-C4'-P energy: -22.350
tors. eta vs tors. theta energy: -56.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -698.246923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.246923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.246923 (E_RNA)
where:
Base-Base interactions energy: -466.179
where: short stacking energy: -205.958
Base-Backbone interact. energy: 0.757
local terms energy: -232.824787
where:
bonds (distance) C4'-P energy: -39.870
bonds (distance) P-C4' energy: -54.969
flat angles C4'-P-C4' energy: -54.904
flat angles P-C4'-P energy: -29.523
tors. eta vs tors. theta energy: -53.559
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: 8
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -557.325665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.325665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.325665 (E_RNA)
where:
Base-Base interactions energy: -365.730
where: short stacking energy: -158.807
Base-Backbone interact. energy: -0.145
local terms energy: -191.450606
where:
bonds (distance) C4'-P energy: -41.757
bonds (distance) P-C4' energy: -38.902
flat angles C4'-P-C4' energy: -56.536
flat angles P-C4'-P energy: -33.086
tors. eta vs tors. theta energy: -21.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -314.107868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.107868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.107868 (E_RNA)
where:
Base-Base interactions energy: -150.904
where: short stacking energy: -86.768
Base-Backbone interact. energy: 0.632
local terms energy: -163.836132
where:
bonds (distance) C4'-P energy: -46.724
bonds (distance) P-C4' energy: -51.954
flat angles C4'-P-C4' energy: -35.635
flat angles P-C4'-P energy: -33.994
tors. eta vs tors. theta energy: 4.471
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: 10
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -225.982840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.982840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.982840 (E_RNA)
where:
Base-Base interactions energy: -75.129
where: short stacking energy: -64.646
Base-Backbone interact. energy: -0.335
local terms energy: -150.518716
where:
bonds (distance) C4'-P energy: -46.359
bonds (distance) P-C4' energy: -34.754
flat angles C4'-P-C4' energy: -43.202
flat angles P-C4'-P energy: -20.167
tors. eta vs tors. theta energy: -6.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -906.128849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.128849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.128849 (E_RNA)
where:
Base-Base interactions energy: -624.900
where: short stacking energy: -273.603
Base-Backbone interact. energy: 2.553
local terms energy: -283.781648
where:
bonds (distance) C4'-P energy: -57.693
bonds (distance) P-C4' energy: -52.247
flat angles C4'-P-C4' energy: -59.213
flat angles P-C4'-P energy: -39.827
tors. eta vs tors. theta energy: -74.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -868.557467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.557467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.557467 (E_RNA)
where:
Base-Base interactions energy: -594.842
where: short stacking energy: -247.734
Base-Backbone interact. energy: -0.771
local terms energy: -272.944597
where:
bonds (distance) C4'-P energy: -46.519
bonds (distance) P-C4' energy: -52.425
flat angles C4'-P-C4' energy: -60.808
flat angles P-C4'-P energy: -44.630
tors. eta vs tors. theta energy: -68.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -858.996002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.996002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.996002 (E_RNA)
where:
Base-Base interactions energy: -594.499
where: short stacking energy: -264.132
Base-Backbone interact. energy: -0.808
local terms energy: -263.688046
where:
bonds (distance) C4'-P energy: -48.153
bonds (distance) P-C4' energy: -45.938
flat angles C4'-P-C4' energy: -58.252
flat angles P-C4'-P energy: -38.763
tors. eta vs tors. theta energy: -72.581
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: 346
Temperature: 1.050000
Total energy: -880.397750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.397750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.397750 (E_RNA)
where:
Base-Base interactions energy: -603.259
where: short stacking energy: -272.451
Base-Backbone interact. energy: -2.754
local terms energy: -274.385110
where:
bonds (distance) C4'-P energy: -51.179
bonds (distance) P-C4' energy: -52.525
flat angles C4'-P-C4' energy: -56.057
flat angles P-C4'-P energy: -41.455
tors. eta vs tors. theta energy: -73.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -794.081944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.081944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.081944 (E_RNA)
where:
Base-Base interactions energy: -529.006
where: short stacking energy: -225.926
Base-Backbone interact. energy: -0.628
local terms energy: -264.447820
where:
bonds (distance) C4'-P energy: -57.450
bonds (distance) P-C4' energy: -45.672
flat angles C4'-P-C4' energy: -53.802
flat angles P-C4'-P energy: -47.161
tors. eta vs tors. theta energy: -60.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -685.011744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.011744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.011744 (E_RNA)
where:
Base-Base interactions energy: -445.714
where: short stacking energy: -208.729
Base-Backbone interact. energy: -1.710
local terms energy: -237.588165
where:
bonds (distance) C4'-P energy: -49.546
bonds (distance) P-C4' energy: -52.900
flat angles C4'-P-C4' energy: -53.152
flat angles P-C4'-P energy: -29.871
tors. eta vs tors. theta energy: -52.119
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: 6
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -656.266980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.266980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.266980 (E_RNA)
where:
Base-Base interactions energy: -445.319
where: short stacking energy: -203.863
Base-Backbone interact. energy: -0.932
local terms energy: -210.015563
where:
bonds (distance) C4'-P energy: -37.208
bonds (distance) P-C4' energy: -48.558
flat angles C4'-P-C4' energy: -46.784
flat angles P-C4'-P energy: -31.420
tors. eta vs tors. theta energy: -46.045
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: 8
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -585.033724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.033724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.033724 (E_RNA)
where:
Base-Base interactions energy: -384.251
where: short stacking energy: -181.192
Base-Backbone interact. energy: -0.799
local terms energy: -199.984537
where:
bonds (distance) C4'-P energy: -43.385
bonds (distance) P-C4' energy: -42.176
flat angles C4'-P-C4' energy: -50.609
flat angles P-C4'-P energy: -23.994
tors. eta vs tors. theta energy: -39.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -301.487897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.487897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.487897 (E_RNA)
where:
Base-Base interactions energy: -139.826
where: short stacking energy: -85.045
Base-Backbone interact. energy: -1.224
local terms energy: -160.438558
where:
bonds (distance) C4'-P energy: -51.999
bonds (distance) P-C4' energy: -42.604
flat angles C4'-P-C4' energy: -32.633
flat angles P-C4'-P energy: -23.633
tors. eta vs tors. theta energy: -9.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -222.359348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.359348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.359348 (E_RNA)
where:
Base-Base interactions energy: -67.316
where: short stacking energy: -66.904
Base-Backbone interact. energy: 1.570
local terms energy: -156.612418
where:
bonds (distance) C4'-P energy: -40.144
bonds (distance) P-C4' energy: -55.589
flat angles C4'-P-C4' energy: -43.273
flat angles P-C4'-P energy: -21.959
tors. eta vs tors. theta energy: 4.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -916.485447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.485447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.485447 (E_RNA)
where:
Base-Base interactions energy: -630.197
where: short stacking energy: -276.637
Base-Backbone interact. energy: -0.845
local terms energy: -285.443716
where:
bonds (distance) C4'-P energy: -50.566
bonds (distance) P-C4' energy: -50.475
flat angles C4'-P-C4' energy: -60.315
flat angles P-C4'-P energy: -44.991
tors. eta vs tors. theta energy: -79.097
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: 5
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -894.647113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.647113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.647113 (E_RNA)
where:
Base-Base interactions energy: -623.910
where: short stacking energy: -251.106
Base-Backbone interact. energy: 1.286
local terms energy: -272.023132
where:
bonds (distance) C4'-P energy: -53.353
bonds (distance) P-C4' energy: -51.775
flat angles C4'-P-C4' energy: -62.541
flat angles P-C4'-P energy: -32.831
tors. eta vs tors. theta energy: -71.523
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: 3, replica: 2
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -876.311296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.311296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.311296 (E_RNA)
where:
Base-Base interactions energy: -596.840
where: short stacking energy: -258.224
Base-Backbone interact. energy: -1.413
local terms energy: -278.057899
where:
bonds (distance) C4'-P energy: -41.407
bonds (distance) P-C4' energy: -58.576
flat angles C4'-P-C4' energy: -60.163
flat angles P-C4'-P energy: -39.785
tors. eta vs tors. theta energy: -78.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -863.873251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.873251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.873251 (E_RNA)
where:
Base-Base interactions energy: -599.360
where: short stacking energy: -246.155
Base-Backbone interact. energy: -2.392
local terms energy: -262.120516
where:
bonds (distance) C4'-P energy: -49.514
bonds (distance) P-C4' energy: -48.100
flat angles C4'-P-C4' energy: -55.699
flat angles P-C4'-P energy: -38.220
tors. eta vs tors. theta energy: -70.588
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: 5, replica: 3
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -812.759840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.759840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.759840 (E_RNA)
where:
Base-Base interactions energy: -550.863
where: short stacking energy: -233.148
Base-Backbone interact. energy: 3.338
local terms energy: -265.235700
where:
bonds (distance) C4'-P energy: -44.818
bonds (distance) P-C4' energy: -54.393
flat angles C4'-P-C4' energy: -55.284
flat angles P-C4'-P energy: -38.949
tors. eta vs tors. theta energy: -71.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -694.294417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.294417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.294417 (E_RNA)
where:
Base-Base interactions energy: -471.005
where: short stacking energy: -207.576
Base-Backbone interact. energy: 5.025
local terms energy: -228.314878
where:
bonds (distance) C4'-P energy: -41.233
bonds (distance) P-C4' energy: -42.893
flat angles C4'-P-C4' energy: -53.111
flat angles P-C4'-P energy: -43.246
tors. eta vs tors. theta energy: -47.833
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: 6
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -601.438251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.438251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.438251 (E_RNA)
where:
Base-Base interactions energy: -402.246
where: short stacking energy: -174.444
Base-Backbone interact. energy: -0.433
local terms energy: -198.758777
where:
bonds (distance) C4'-P energy: -46.350
bonds (distance) P-C4' energy: -44.197
flat angles C4'-P-C4' energy: -46.455
flat angles P-C4'-P energy: -32.669
tors. eta vs tors. theta energy: -29.088
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: 8
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -617.031428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.031428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.031428 (E_RNA)
where:
Base-Base interactions energy: -427.637
where: short stacking energy: -199.946
Base-Backbone interact. energy: -1.272
local terms energy: -188.122898
where:
bonds (distance) C4'-P energy: -23.497
bonds (distance) P-C4' energy: -40.011
flat angles C4'-P-C4' energy: -49.028
flat angles P-C4'-P energy: -31.748
tors. eta vs tors. theta energy: -43.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -288.606632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.606632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.606632 (E_RNA)
where:
Base-Base interactions energy: -140.277
where: short stacking energy: -83.687
Base-Backbone interact. energy: -0.447
local terms energy: -147.882669
where:
bonds (distance) C4'-P energy: -45.297
bonds (distance) P-C4' energy: -47.787
flat angles C4'-P-C4' energy: -26.823
flat angles P-C4'-P energy: -26.886
tors. eta vs tors. theta energy: -1.090
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: 10
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -233.915530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.915530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.915530 (E_RNA)
where:
Base-Base interactions energy: -78.647
where: short stacking energy: -76.270
Base-Backbone interact. energy: -0.569
local terms energy: -154.699957
where:
bonds (distance) C4'-P energy: -47.626
bonds (distance) P-C4' energy: -46.659
flat angles C4'-P-C4' energy: -36.352
flat angles P-C4'-P energy: -23.145
tors. eta vs tors. theta energy: -0.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -894.752993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.752993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.752993 (E_RNA)
where:
Base-Base interactions energy: -612.525
where: short stacking energy: -251.277
Base-Backbone interact. energy: -1.392
local terms energy: -280.835597
where:
bonds (distance) C4'-P energy: -47.948
bonds (distance) P-C4' energy: -53.403
flat angles C4'-P-C4' energy: -58.547
flat angles P-C4'-P energy: -44.618
tors. eta vs tors. theta energy: -76.319
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: 2, replica: 5
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -889.136850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.136850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.136850 (E_RNA)
where:
Base-Base interactions energy: -617.478
where: short stacking energy: -259.866
Base-Backbone interact. energy: -0.472
local terms energy: -271.186865
where:
bonds (distance) C4'-P energy: -52.513
bonds (distance) P-C4' energy: -45.346
flat angles C4'-P-C4' energy: -58.677
flat angles P-C4'-P energy: -43.385
tors. eta vs tors. theta energy: -71.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -895.702832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.702832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.702832 (E_RNA)
where:
Base-Base interactions energy: -624.901
where: short stacking energy: -263.011
Base-Backbone interact. energy: -2.040
local terms energy: -268.761624
where:
bonds (distance) C4'-P energy: -52.698
bonds (distance) P-C4' energy: -52.977
flat angles C4'-P-C4' energy: -58.594
flat angles P-C4'-P energy: -33.131
tors. eta vs tors. theta energy: -71.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -841.882720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.882720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.882720 (E_RNA)
where:
Base-Base interactions energy: -587.858
where: short stacking energy: -258.604
Base-Backbone interact. energy: -0.774
local terms energy: -253.250253
where:
bonds (distance) C4'-P energy: -45.905
bonds (distance) P-C4' energy: -49.478
flat angles C4'-P-C4' energy: -50.685
flat angles P-C4'-P energy: -30.474
tors. eta vs tors. theta energy: -76.708
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: 3
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -796.153984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.153984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.153984 (E_RNA)
where:
Base-Base interactions energy: -545.865
where: short stacking energy: -225.623
Base-Backbone interact. energy: -1.521
local terms energy: -248.768422
where:
bonds (distance) C4'-P energy: -44.791
bonds (distance) P-C4' energy: -55.009
flat angles C4'-P-C4' energy: -46.058
flat angles P-C4'-P energy: -38.672
tors. eta vs tors. theta energy: -64.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -695.178131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.178131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.178131 (E_RNA)
where:
Base-Base interactions energy: -473.689
where: short stacking energy: -208.723
Base-Backbone interact. energy: -0.662
local terms energy: -220.827064
where:
bonds (distance) C4'-P energy: -46.051
bonds (distance) P-C4' energy: -53.137
flat angles C4'-P-C4' energy: -44.599
flat angles P-C4'-P energy: -29.081
tors. eta vs tors. theta energy: -47.959
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: 8
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -621.141697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.141697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.141697 (E_RNA)
where:
Base-Base interactions energy: -411.601
where: short stacking energy: -190.497
Base-Backbone interact. energy: 0.475
local terms energy: -210.015540
where:
bonds (distance) C4'-P energy: -43.588
bonds (distance) P-C4' energy: -42.669
flat angles C4'-P-C4' energy: -43.767
flat angles P-C4'-P energy: -34.036
tors. eta vs tors. theta energy: -45.955
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: 6
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -583.146366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.146366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.146366 (E_RNA)
where:
Base-Base interactions energy: -390.701
where: short stacking energy: -162.296
Base-Backbone interact. energy: -1.320
local terms energy: -191.124507
where:
bonds (distance) C4'-P energy: -43.897
bonds (distance) P-C4' energy: -42.301
flat angles C4'-P-C4' energy: -52.486
flat angles P-C4'-P energy: -27.055
tors. eta vs tors. theta energy: -25.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -234.459499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.459499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.459499 (E_RNA)
where:
Base-Base interactions energy: -70.898
where: short stacking energy: -68.270
Base-Backbone interact. energy: -0.291
local terms energy: -163.269801
where:
bonds (distance) C4'-P energy: -50.882
bonds (distance) P-C4' energy: -56.921
flat angles C4'-P-C4' energy: -46.809
flat angles P-C4'-P energy: -15.251
tors. eta vs tors. theta energy: 6.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -288.112953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.112953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.112953 (E_RNA)
where:
Base-Base interactions energy: -138.739
where: short stacking energy: -68.198
Base-Backbone interact. energy: -1.832
local terms energy: -147.542032
where:
bonds (distance) C4'-P energy: -43.207
bonds (distance) P-C4' energy: -55.000
flat angles C4'-P-C4' energy: -33.200
flat angles P-C4'-P energy: -24.711
tors. eta vs tors. theta energy: 8.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -910.726631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.726631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.726631 (E_RNA)
where:
Base-Base interactions energy: -627.986
where: short stacking energy: -281.257
Base-Backbone interact. energy: -1.876
local terms energy: -280.865292
where:
bonds (distance) C4'-P energy: -58.917
bonds (distance) P-C4' energy: -53.484
flat angles C4'-P-C4' energy: -61.412
flat angles P-C4'-P energy: -37.563
tors. eta vs tors. theta energy: -69.490
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: 4
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -896.824841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.824841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.824841 (E_RNA)
where:
Base-Base interactions energy: -618.979
where: short stacking energy: -265.686
Base-Backbone interact. energy: -1.425
local terms energy: -276.420485
where:
bonds (distance) C4'-P energy: -51.317
bonds (distance) P-C4' energy: -51.368
flat angles C4'-P-C4' energy: -56.652
flat angles P-C4'-P energy: -45.157
tors. eta vs tors. theta energy: -71.926
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: 5
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -875.748157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.748157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.748157 (E_RNA)
where:
Base-Base interactions energy: -592.560
where: short stacking energy: -264.081
Base-Backbone interact. energy: -1.889
local terms energy: -281.298675
where:
bonds (distance) C4'-P energy: -52.794
bonds (distance) P-C4' energy: -56.568
flat angles C4'-P-C4' energy: -58.064
flat angles P-C4'-P energy: -38.751
tors. eta vs tors. theta energy: -75.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -840.781085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.781085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.781085 (E_RNA)
where:
Base-Base interactions energy: -571.483
where: short stacking energy: -271.140
Base-Backbone interact. energy: 0.658
local terms energy: -269.955695
where:
bonds (distance) C4'-P energy: -46.533
bonds (distance) P-C4' energy: -44.151
flat angles C4'-P-C4' energy: -63.597
flat angles P-C4'-P energy: -36.645
tors. eta vs tors. theta energy: -79.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -781.682284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.682284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.682284 (E_RNA)
where:
Base-Base interactions energy: -546.170
where: short stacking energy: -243.232
Base-Backbone interact. energy: 1.445
local terms energy: -236.957401
where:
bonds (distance) C4'-P energy: -46.995
bonds (distance) P-C4' energy: -42.017
flat angles C4'-P-C4' energy: -52.027
flat angles P-C4'-P energy: -36.766
tors. eta vs tors. theta energy: -59.153
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: 6, replica: 7
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -671.122073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.122073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.122073 (E_RNA)
where:
Base-Base interactions energy: -437.260
where: short stacking energy: -196.787
Base-Backbone interact. energy: -1.249
local terms energy: -232.612392
where:
bonds (distance) C4'-P energy: -41.225
bonds (distance) P-C4' energy: -57.503
flat angles C4'-P-C4' energy: -50.703
flat angles P-C4'-P energy: -32.656
tors. eta vs tors. theta energy: -50.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -605.444177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.444177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.444177 (E_RNA)
where:
Base-Base interactions energy: -406.025
where: short stacking energy: -197.520
Base-Backbone interact. energy: -0.779
local terms energy: -198.640381
where:
bonds (distance) C4'-P energy: -28.773
bonds (distance) P-C4' energy: -47.316
flat angles C4'-P-C4' energy: -52.123
flat angles P-C4'-P energy: -19.338
tors. eta vs tors. theta energy: -51.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -577.779640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.779640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.779640 (E_RNA)
where:
Base-Base interactions energy: -392.309
where: short stacking energy: -159.760
Base-Backbone interact. energy: 1.571
local terms energy: -187.041900
where:
bonds (distance) C4'-P energy: -38.555
bonds (distance) P-C4' energy: -46.519
flat angles C4'-P-C4' energy: -45.531
flat angles P-C4'-P energy: -23.761
tors. eta vs tors. theta energy: -32.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -237.696064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.696064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.696064 (E_RNA)
where:
Base-Base interactions energy: -75.017
where: short stacking energy: -57.887
Base-Backbone interact. energy: -1.235
local terms energy: -161.443979
where:
bonds (distance) C4'-P energy: -50.708
bonds (distance) P-C4' energy: -48.415
flat angles C4'-P-C4' energy: -34.988
flat angles P-C4'-P energy: -29.051
tors. eta vs tors. theta energy: 1.718
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: 9
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -307.257093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.257093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.257093 (E_RNA)
where:
Base-Base interactions energy: -161.326
where: short stacking energy: -77.944
Base-Backbone interact. energy: -0.690
local terms energy: -145.241106
where:
bonds (distance) C4'-P energy: -40.901
bonds (distance) P-C4' energy: -48.467
flat angles C4'-P-C4' energy: -31.137
flat angles P-C4'-P energy: -26.945
tors. eta vs tors. theta energy: 2.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -891.221091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.221091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.221091 (E_RNA)
where:
Base-Base interactions energy: -627.596
where: short stacking energy: -268.713
Base-Backbone interact. energy: 1.405
local terms energy: -265.030058
where:
bonds (distance) C4'-P energy: -47.451
bonds (distance) P-C4' energy: -55.178
flat angles C4'-P-C4' energy: -51.650
flat angles P-C4'-P energy: -35.600
tors. eta vs tors. theta energy: -75.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -910.363424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.363424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.363424 (E_RNA)
where:
Base-Base interactions energy: -635.654
where: short stacking energy: -245.905
Base-Backbone interact. energy: 0.149
local terms energy: -274.858370
where:
bonds (distance) C4'-P energy: -54.261
bonds (distance) P-C4' energy: -55.217
flat angles C4'-P-C4' energy: -58.669
flat angles P-C4'-P energy: -38.137
tors. eta vs tors. theta energy: -68.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -846.552124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.552124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.552124 (E_RNA)
where:
Base-Base interactions energy: -592.137
where: short stacking energy: -249.971
Base-Backbone interact. energy: -1.009
local terms energy: -253.406233
where:
bonds (distance) C4'-P energy: -48.587
bonds (distance) P-C4' energy: -48.601
flat angles C4'-P-C4' energy: -57.086
flat angles P-C4'-P energy: -33.986
tors. eta vs tors. theta energy: -65.146
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: 4, replica: 2
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -799.734333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.734333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.734333 (E_RNA)
where:
Base-Base interactions energy: -535.712
where: short stacking energy: -248.566
Base-Backbone interact. energy: -0.439
local terms energy: -263.584091
where:
bonds (distance) C4'-P energy: -40.568
bonds (distance) P-C4' energy: -51.417
flat angles C4'-P-C4' energy: -60.082
flat angles P-C4'-P energy: -44.537
tors. eta vs tors. theta energy: -66.979
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: 350
Temperature: 1.100000
Total energy: -790.919561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.919561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.919561 (E_RNA)
where:
Base-Base interactions energy: -548.615
where: short stacking energy: -239.660
Base-Backbone interact. energy: -0.539
local terms energy: -241.765780
where:
bonds (distance) C4'-P energy: -46.317
bonds (distance) P-C4' energy: -51.089
flat angles C4'-P-C4' energy: -41.410
flat angles P-C4'-P energy: -40.532
tors. eta vs tors. theta energy: -62.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -696.643423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.643423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.643423 (E_RNA)
where:
Base-Base interactions energy: -482.570
where: short stacking energy: -214.926
Base-Backbone interact. energy: -1.087
local terms energy: -212.986582
where:
bonds (distance) C4'-P energy: -37.119
bonds (distance) P-C4' energy: -47.884
flat angles C4'-P-C4' energy: -56.712
flat angles P-C4'-P energy: -23.095
tors. eta vs tors. theta energy: -48.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -590.252004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.252004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.252004 (E_RNA)
where:
Base-Base interactions energy: -364.070
where: short stacking energy: -161.948
Base-Backbone interact. energy: 0.619
local terms energy: -226.801064
where:
bonds (distance) C4'-P energy: -49.572
bonds (distance) P-C4' energy: -46.331
flat angles C4'-P-C4' energy: -46.594
flat angles P-C4'-P energy: -35.080
tors. eta vs tors. theta energy: -49.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -590.251107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.251107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.251107 (E_RNA)
where:
Base-Base interactions energy: -399.084
where: short stacking energy: -182.160
Base-Backbone interact. energy: 1.114
local terms energy: -192.281314
where:
bonds (distance) C4'-P energy: -41.608
bonds (distance) P-C4' energy: -35.380
flat angles C4'-P-C4' energy: -47.006
flat angles P-C4'-P energy: -32.366
tors. eta vs tors. theta energy: -35.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -305.976220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.976220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.976220 (E_RNA)
where:
Base-Base interactions energy: -131.563
where: short stacking energy: -81.900
Base-Backbone interact. energy: 0.037
local terms energy: -174.450523
where:
bonds (distance) C4'-P energy: -47.316
bonds (distance) P-C4' energy: -54.136
flat angles C4'-P-C4' energy: -46.281
flat angles P-C4'-P energy: -26.443
tors. eta vs tors. theta energy: -0.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -225.918641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.918641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.918641 (E_RNA)
where:
Base-Base interactions energy: -99.258
where: short stacking energy: -73.379
Base-Backbone interact. energy: 1.155
local terms energy: -127.816069
where:
bonds (distance) C4'-P energy: -46.366
bonds (distance) P-C4' energy: -25.577
flat angles C4'-P-C4' energy: -37.751
flat angles P-C4'-P energy: -26.382
tors. eta vs tors. theta energy: 8.261
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: 1
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -899.216554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.216554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.216554 (E_RNA)
where:
Base-Base interactions energy: -634.456
where: short stacking energy: -262.179
Base-Backbone interact. energy: -2.184
local terms energy: -262.576452
where:
bonds (distance) C4'-P energy: -43.089
bonds (distance) P-C4' energy: -54.190
flat angles C4'-P-C4' energy: -61.976
flat angles P-C4'-P energy: -36.769
tors. eta vs tors. theta energy: -66.553
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: 5
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -874.592186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.592186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.592186 (E_RNA)
where:
Base-Base interactions energy: -616.215
where: short stacking energy: -272.771
Base-Backbone interact. energy: -1.830
local terms energy: -256.547117
where:
bonds (distance) C4'-P energy: -40.709
bonds (distance) P-C4' energy: -44.165
flat angles C4'-P-C4' energy: -62.594
flat angles P-C4'-P energy: -32.492
tors. eta vs tors. theta energy: -76.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -869.495185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.495185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.495185 (E_RNA)
where:
Base-Base interactions energy: -602.192
where: short stacking energy: -253.064
Base-Backbone interact. energy: -2.316
local terms energy: -264.986714
where:
bonds (distance) C4'-P energy: -46.708
bonds (distance) P-C4' energy: -53.636
flat angles C4'-P-C4' energy: -53.913
flat angles P-C4'-P energy: -41.853
tors. eta vs tors. theta energy: -68.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -813.818456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.818456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.818456 (E_RNA)
where:
Base-Base interactions energy: -562.670
where: short stacking energy: -232.599
Base-Backbone interact. energy: 0.679
local terms energy: -251.827309
where:
bonds (distance) C4'-P energy: -50.333
bonds (distance) P-C4' energy: -50.698
flat angles C4'-P-C4' energy: -52.583
flat angles P-C4'-P energy: -34.662
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: 5, replica: 2
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -811.844274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.844274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.844274 (E_RNA)
where:
Base-Base interactions energy: -554.748
where: short stacking energy: -240.988
Base-Backbone interact. energy: 0.079
local terms energy: -257.175150
where:
bonds (distance) C4'-P energy: -47.298
bonds (distance) P-C4' energy: -43.210
flat angles C4'-P-C4' energy: -59.646
flat angles P-C4'-P energy: -45.334
tors. eta vs tors. theta energy: -61.686
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: 7
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -675.907543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.907543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.907543 (E_RNA)
where:
Base-Base interactions energy: -436.952
where: short stacking energy: -196.691
Base-Backbone interact. energy: -1.792
local terms energy: -237.162696
where:
bonds (distance) C4'-P energy: -48.482
bonds (distance) P-C4' energy: -52.333
flat angles C4'-P-C4' energy: -46.778
flat angles P-C4'-P energy: -38.427
tors. eta vs tors. theta energy: -51.143
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: 8
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -600.336041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.336041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.336041 (E_RNA)
where:
Base-Base interactions energy: -392.462
where: short stacking energy: -189.021
Base-Backbone interact. energy: -0.684
local terms energy: -207.190076
where:
bonds (distance) C4'-P energy: -46.382
bonds (distance) P-C4' energy: -42.892
flat angles C4'-P-C4' energy: -48.791
flat angles P-C4'-P energy: -25.100
tors. eta vs tors. theta energy: -44.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -567.266209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.266209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.266209 (E_RNA)
where:
Base-Base interactions energy: -370.609
where: short stacking energy: -170.285
Base-Backbone interact. energy: -3.832
local terms energy: -192.825435
where:
bonds (distance) C4'-P energy: -36.935
bonds (distance) P-C4' energy: -47.481
flat angles C4'-P-C4' energy: -54.052
flat angles P-C4'-P energy: -23.237
tors. eta vs tors. theta energy: -31.121
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: 9
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -303.620533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.620533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.620533 (E_RNA)
where:
Base-Base interactions energy: -138.156
where: short stacking energy: -86.552
Base-Backbone interact. energy: -1.159
local terms energy: -164.305485
where:
bonds (distance) C4'-P energy: -43.656
bonds (distance) P-C4' energy: -45.014
flat angles C4'-P-C4' energy: -37.199
flat angles P-C4'-P energy: -23.441
tors. eta vs tors. theta energy: -14.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -230.224689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.224689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.224689 (E_RNA)
where:
Base-Base interactions energy: -66.114
where: short stacking energy: -45.408
Base-Backbone interact. energy: -2.844
local terms energy: -161.266675
where:
bonds (distance) C4'-P energy: -41.419
bonds (distance) P-C4' energy: -53.024
flat angles C4'-P-C4' energy: -38.473
flat angles P-C4'-P energy: -28.971
tors. eta vs tors. theta energy: 0.620
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: 1
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -905.511001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.511001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.511001 (E_RNA)
where:
Base-Base interactions energy: -629.505
where: short stacking energy: -264.829
Base-Backbone interact. energy: -2.183
local terms energy: -273.822527
where:
bonds (distance) C4'-P energy: -53.631
bonds (distance) P-C4' energy: -52.429
flat angles C4'-P-C4' energy: -57.585
flat angles P-C4'-P energy: -38.050
tors. eta vs tors. theta energy: -72.127
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: 5
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -884.504814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.504814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.504814 (E_RNA)
where:
Base-Base interactions energy: -598.890
where: short stacking energy: -256.098
Base-Backbone interact. energy: 0.327
local terms energy: -285.941837
where:
bonds (distance) C4'-P energy: -54.028
bonds (distance) P-C4' energy: -55.811
flat angles C4'-P-C4' energy: -58.784
flat angles P-C4'-P energy: -48.164
tors. eta vs tors. theta energy: -69.156
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: 3, replica: 3
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -876.276473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.276473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.276473 (E_RNA)
where:
Base-Base interactions energy: -605.511
where: short stacking energy: -264.624
Base-Backbone interact. energy: -1.157
local terms energy: -269.609153
where:
bonds (distance) C4'-P energy: -49.446
bonds (distance) P-C4' energy: -55.025
flat angles C4'-P-C4' energy: -57.440
flat angles P-C4'-P energy: -32.441
tors. eta vs tors. theta energy: -75.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -808.312592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.312592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.312592 (E_RNA)
where:
Base-Base interactions energy: -556.833
where: short stacking energy: -241.456
Base-Backbone interact. energy: -2.837
local terms energy: -248.642388
where:
bonds (distance) C4'-P energy: -44.734
bonds (distance) P-C4' energy: -54.562
flat angles C4'-P-C4' energy: -51.525
flat angles P-C4'-P energy: -41.956
tors. eta vs tors. theta energy: -55.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -800.978440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.978440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.978440 (E_RNA)
where:
Base-Base interactions energy: -569.337
where: short stacking energy: -242.334
Base-Backbone interact. energy: -1.142
local terms energy: -230.498809
where:
bonds (distance) C4'-P energy: -47.033
bonds (distance) P-C4' energy: -41.274
flat angles C4'-P-C4' energy: -49.874
flat angles P-C4'-P energy: -32.434
tors. eta vs tors. theta energy: -59.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -680.174027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.174027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.174027 (E_RNA)
where:
Base-Base interactions energy: -459.158
where: short stacking energy: -214.965
Base-Backbone interact. energy: 0.536
local terms energy: -221.552479
where:
bonds (distance) C4'-P energy: -51.156
bonds (distance) P-C4' energy: -37.309
flat angles C4'-P-C4' energy: -48.263
flat angles P-C4'-P energy: -30.765
tors. eta vs tors. theta energy: -54.059
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: 8
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -595.343591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.343591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.343591 (E_RNA)
where:
Base-Base interactions energy: -399.183
where: short stacking energy: -174.197
Base-Backbone interact. energy: -0.305
local terms energy: -195.856478
where:
bonds (distance) C4'-P energy: -29.060
bonds (distance) P-C4' energy: -40.302
flat angles C4'-P-C4' energy: -56.468
flat angles P-C4'-P energy: -33.076
tors. eta vs tors. theta energy: -36.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -568.133534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.133534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.133534 (E_RNA)
where:
Base-Base interactions energy: -386.887
where: short stacking energy: -170.591
Base-Backbone interact. energy: 3.529
local terms energy: -184.775428
where:
bonds (distance) C4'-P energy: -38.587
bonds (distance) P-C4' energy: -42.931
flat angles C4'-P-C4' energy: -43.358
flat angles P-C4'-P energy: -23.376
tors. eta vs tors. theta energy: -36.522
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: 9
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -318.899243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.899243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.899243 (E_RNA)
where:
Base-Base interactions energy: -158.684
where: short stacking energy: -82.021
Base-Backbone interact. energy: 1.215
local terms energy: -161.429803
where:
bonds (distance) C4'-P energy: -38.263
bonds (distance) P-C4' energy: -48.980
flat angles C4'-P-C4' energy: -35.804
flat angles P-C4'-P energy: -31.457
tors. eta vs tors. theta energy: -6.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -221.720319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.720319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.720319 (E_RNA)
where:
Base-Base interactions energy: -78.849
where: short stacking energy: -70.674
Base-Backbone interact. energy: 1.025
local terms energy: -143.896157
where:
bonds (distance) C4'-P energy: -38.009
bonds (distance) P-C4' energy: -43.615
flat angles C4'-P-C4' energy: -46.027
flat angles P-C4'-P energy: -20.484
tors. eta vs tors. theta energy: 4.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -886.412807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.412807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.412807 (E_RNA)
where:
Base-Base interactions energy: -602.610
where: short stacking energy: -258.820
Base-Backbone interact. energy: -0.766
local terms energy: -283.037292
where:
bonds (distance) C4'-P energy: -53.099
bonds (distance) P-C4' energy: -56.371
flat angles C4'-P-C4' energy: -60.762
flat angles P-C4'-P energy: -39.849
tors. eta vs tors. theta energy: -72.957
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: 353
Temperature: 0.950000
Total energy: -895.857420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.857420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.857420 (E_RNA)
where:
Base-Base interactions energy: -615.089
where: short stacking energy: -265.296
Base-Backbone interact. energy: -1.104
local terms energy: -279.664554
where:
bonds (distance) C4'-P energy: -54.069
bonds (distance) P-C4' energy: -56.721
flat angles C4'-P-C4' energy: -57.107
flat angles P-C4'-P energy: -38.356
tors. eta vs tors. theta energy: -73.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -862.305510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.305510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.305510 (E_RNA)
where:
Base-Base interactions energy: -584.507
where: short stacking energy: -266.985
Base-Backbone interact. energy: 1.019
local terms energy: -278.816900
where:
bonds (distance) C4'-P energy: -49.986
bonds (distance) P-C4' energy: -49.875
flat angles C4'-P-C4' energy: -62.124
flat angles P-C4'-P energy: -40.669
tors. eta vs tors. theta energy: -76.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -798.385158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.385158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.385158 (E_RNA)
where:
Base-Base interactions energy: -541.850
where: short stacking energy: -230.960
Base-Backbone interact. energy: -0.934
local terms energy: -255.602104
where:
bonds (distance) C4'-P energy: -49.848
bonds (distance) P-C4' energy: -50.797
flat angles C4'-P-C4' energy: -58.874
flat angles P-C4'-P energy: -32.821
tors. eta vs tors. theta energy: -63.263
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: 353
Temperature: 1.100000
Total energy: -830.424678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.424678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.424678 (E_RNA)
where:
Base-Base interactions energy: -580.219
where: short stacking energy: -248.709
Base-Backbone interact. energy: -0.124
local terms energy: -250.081706
where:
bonds (distance) C4'-P energy: -49.160
bonds (distance) P-C4' energy: -50.310
flat angles C4'-P-C4' energy: -56.214
flat angles P-C4'-P energy: -23.530
tors. eta vs tors. theta energy: -70.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -674.957064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.957064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.957064 (E_RNA)
where:
Base-Base interactions energy: -449.317
where: short stacking energy: -192.062
Base-Backbone interact. energy: -0.922
local terms energy: -224.717892
where:
bonds (distance) C4'-P energy: -51.925
bonds (distance) P-C4' energy: -43.947
flat angles C4'-P-C4' energy: -50.667
flat angles P-C4'-P energy: -35.103
tors. eta vs tors. theta energy: -43.075
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: 8
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -618.028950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.028950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.028950 (E_RNA)
where:
Base-Base interactions energy: -390.412
where: short stacking energy: -185.991
Base-Backbone interact. energy: 0.400
local terms energy: -228.017262
where:
bonds (distance) C4'-P energy: -50.062
bonds (distance) P-C4' energy: -50.953
flat angles C4'-P-C4' energy: -56.256
flat angles P-C4'-P energy: -32.483
tors. eta vs tors. theta energy: -38.263
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: 6
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -601.071637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.071637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.071637 (E_RNA)
where:
Base-Base interactions energy: -401.128
where: short stacking energy: -175.486
Base-Backbone interact. energy: 4.600
local terms energy: -204.543390
where:
bonds (distance) C4'-P energy: -48.419
bonds (distance) P-C4' energy: -38.742
flat angles C4'-P-C4' energy: -39.506
flat angles P-C4'-P energy: -32.649
tors. eta vs tors. theta energy: -45.227
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: 9
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -343.241074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.241074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.241074 (E_RNA)
where:
Base-Base interactions energy: -169.154
where: short stacking energy: -88.938
Base-Backbone interact. energy: -2.441
local terms energy: -171.645917
where:
bonds (distance) C4'-P energy: -42.672
bonds (distance) P-C4' energy: -50.914
flat angles C4'-P-C4' energy: -37.332
flat angles P-C4'-P energy: -32.881
tors. eta vs tors. theta energy: -7.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -224.601638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.601638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.601638 (E_RNA)
where:
Base-Base interactions energy: -86.128
where: short stacking energy: -63.334
Base-Backbone interact. energy: 0.264
local terms energy: -138.737403
where:
bonds (distance) C4'-P energy: -39.542
bonds (distance) P-C4' energy: -36.798
flat angles C4'-P-C4' energy: -41.117
flat angles P-C4'-P energy: -25.764
tors. eta vs tors. theta energy: 4.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -897.018114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.018114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.018114 (E_RNA)
where:
Base-Base interactions energy: -606.592
where: short stacking energy: -255.925
Base-Backbone interact. energy: -1.834
local terms energy: -288.591690
where:
bonds (distance) C4'-P energy: -57.458
bonds (distance) P-C4' energy: -50.698
flat angles C4'-P-C4' energy: -59.211
flat angles P-C4'-P energy: -46.155
tors. eta vs tors. theta energy: -75.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -905.355460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.355460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.355460 (E_RNA)
where:
Base-Base interactions energy: -626.338
where: short stacking energy: -258.235
Base-Backbone interact. energy: -1.704
local terms energy: -277.313144
where:
bonds (distance) C4'-P energy: -44.279
bonds (distance) P-C4' energy: -52.050
flat angles C4'-P-C4' energy: -63.476
flat angles P-C4'-P energy: -45.002
tors. eta vs tors. theta energy: -72.506
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: 3, replica: 2
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -869.974134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.974134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.974134 (E_RNA)
where:
Base-Base interactions energy: -590.083
where: short stacking energy: -264.170
Base-Backbone interact. energy: -1.038
local terms energy: -278.852863
where:
bonds (distance) C4'-P energy: -53.478
bonds (distance) P-C4' energy: -48.757
flat angles C4'-P-C4' energy: -61.002
flat angles P-C4'-P energy: -32.106
tors. eta vs tors. theta energy: -83.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -837.182331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.182331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.182331 (E_RNA)
where:
Base-Base interactions energy: -594.624
where: short stacking energy: -258.262
Base-Backbone interact. energy: 2.875
local terms energy: -245.433511
where:
bonds (distance) C4'-P energy: -46.187
bonds (distance) P-C4' energy: -37.736
flat angles C4'-P-C4' energy: -46.114
flat angles P-C4'-P energy: -46.912
tors. eta vs tors. theta energy: -68.486
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: 4
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -830.357392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.357392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.357392 (E_RNA)
where:
Base-Base interactions energy: -569.875
where: short stacking energy: -243.005
Base-Backbone interact. energy: -0.217
local terms energy: -260.265390
where:
bonds (distance) C4'-P energy: -43.300
bonds (distance) P-C4' energy: -50.578
flat angles C4'-P-C4' energy: -53.902
flat angles P-C4'-P energy: -38.306
tors. eta vs tors. theta energy: -74.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -670.790493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.790493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.790493 (E_RNA)
where:
Base-Base interactions energy: -467.345
where: short stacking energy: -192.321
Base-Backbone interact. energy: 0.676
local terms energy: -204.121551
where:
bonds (distance) C4'-P energy: -42.012
bonds (distance) P-C4' energy: -45.605
flat angles C4'-P-C4' energy: -45.152
flat angles P-C4'-P energy: -28.956
tors. eta vs tors. theta energy: -42.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -603.151701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.151701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.151701 (E_RNA)
where:
Base-Base interactions energy: -409.493
where: short stacking energy: -172.905
Base-Backbone interact. energy: -1.546
local terms energy: -192.112810
where:
bonds (distance) C4'-P energy: -50.660
bonds (distance) P-C4' energy: -46.779
flat angles C4'-P-C4' energy: -37.859
flat angles P-C4'-P energy: -22.252
tors. eta vs tors. theta energy: -34.563
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: 8
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -561.328894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.328894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.328894 (E_RNA)
where:
Base-Base interactions energy: -370.145
where: short stacking energy: -157.516
Base-Backbone interact. energy: 4.354
local terms energy: -195.537151
where:
bonds (distance) C4'-P energy: -52.955
bonds (distance) P-C4' energy: -47.410
flat angles C4'-P-C4' energy: -45.076
flat angles P-C4'-P energy: -18.529
tors. eta vs tors. theta energy: -31.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -250.484562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.484562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.484562 (E_RNA)
where:
Base-Base interactions energy: -99.486
where: short stacking energy: -91.045
Base-Backbone interact. energy: -0.039
local terms energy: -150.959244
where:
bonds (distance) C4'-P energy: -30.532
bonds (distance) P-C4' energy: -52.983
flat angles C4'-P-C4' energy: -36.940
flat angles P-C4'-P energy: -25.077
tors. eta vs tors. theta energy: -5.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -274.238027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.238027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.238027 (E_RNA)
where:
Base-Base interactions energy: -132.333
where: short stacking energy: -69.305
Base-Backbone interact. energy: -0.045
local terms energy: -141.860482
where:
bonds (distance) C4'-P energy: -47.197
bonds (distance) P-C4' energy: -40.834
flat angles C4'-P-C4' energy: -39.973
flat angles P-C4'-P energy: -18.882
tors. eta vs tors. theta energy: 5.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -902.079259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.079259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.079259 (E_RNA)
where:
Base-Base interactions energy: -617.226
where: short stacking energy: -274.433
Base-Backbone interact. energy: -0.262
local terms energy: -284.591379
where:
bonds (distance) C4'-P energy: -49.784
bonds (distance) P-C4' energy: -55.327
flat angles C4'-P-C4' energy: -58.322
flat angles P-C4'-P energy: -40.567
tors. eta vs tors. theta energy: -80.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -888.560462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.560462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.560462 (E_RNA)
where:
Base-Base interactions energy: -608.043
where: short stacking energy: -261.730
Base-Backbone interact. energy: -1.810
local terms energy: -278.707166
where:
bonds (distance) C4'-P energy: -48.404
bonds (distance) P-C4' energy: -57.215
flat angles C4'-P-C4' energy: -58.088
flat angles P-C4'-P energy: -42.386
tors. eta vs tors. theta energy: -72.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -851.216207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.216207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.216207 (E_RNA)
where:
Base-Base interactions energy: -572.639
where: short stacking energy: -249.189
Base-Backbone interact. energy: -2.139
local terms energy: -276.437901
where:
bonds (distance) C4'-P energy: -50.333
bonds (distance) P-C4' energy: -51.547
flat angles C4'-P-C4' energy: -60.135
flat angles P-C4'-P energy: -41.631
tors. eta vs tors. theta energy: -72.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -828.875255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.875255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.875255 (E_RNA)
where:
Base-Base interactions energy: -572.838
where: short stacking energy: -243.224
Base-Backbone interact. energy: -2.121
local terms energy: -253.915708
where:
bonds (distance) C4'-P energy: -43.261
bonds (distance) P-C4' energy: -52.285
flat angles C4'-P-C4' energy: -55.500
flat angles P-C4'-P energy: -43.603
tors. eta vs tors. theta energy: -59.267
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: 355
Temperature: 1.100000
Total energy: -778.900499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.900499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.900499 (E_RNA)
where:
Base-Base interactions energy: -536.099
where: short stacking energy: -220.941
Base-Backbone interact. energy: 3.245
local terms energy: -246.046316
where:
bonds (distance) C4'-P energy: -47.487
bonds (distance) P-C4' energy: -55.305
flat angles C4'-P-C4' energy: -46.705
flat angles P-C4'-P energy: -38.692
tors. eta vs tors. theta energy: -57.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -638.056632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.056632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.056632 (E_RNA)
where:
Base-Base interactions energy: -416.623
where: short stacking energy: -182.300
Base-Backbone interact. energy: -0.697
local terms energy: -220.736756
where:
bonds (distance) C4'-P energy: -55.855
bonds (distance) P-C4' energy: -45.580
flat angles C4'-P-C4' energy: -55.112
flat angles P-C4'-P energy: -27.841
tors. eta vs tors. theta energy: -36.349
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: 6
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -620.168779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.168779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.168779 (E_RNA)
where:
Base-Base interactions energy: -423.205
where: short stacking energy: -191.915
Base-Backbone interact. energy: -0.977
local terms energy: -195.986358
where:
bonds (distance) C4'-P energy: -40.061
bonds (distance) P-C4' energy: -50.901
flat angles C4'-P-C4' energy: -44.480
flat angles P-C4'-P energy: -21.101
tors. eta vs tors. theta energy: -39.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -554.538651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.538651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.538651 (E_RNA)
where:
Base-Base interactions energy: -359.245
where: short stacking energy: -162.322
Base-Backbone interact. energy: 0.732
local terms energy: -196.025763
where:
bonds (distance) C4'-P energy: -45.782
bonds (distance) P-C4' energy: -40.833
flat angles C4'-P-C4' energy: -48.040
flat angles P-C4'-P energy: -30.919
tors. eta vs tors. theta energy: -30.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -242.819005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.819005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.819005 (E_RNA)
where:
Base-Base interactions energy: -93.552
where: short stacking energy: -73.363
Base-Backbone interact. energy: -1.309
local terms energy: -147.958775
where:
bonds (distance) C4'-P energy: -38.901
bonds (distance) P-C4' energy: -50.374
flat angles C4'-P-C4' energy: -41.545
flat angles P-C4'-P energy: -26.663
tors. eta vs tors. theta energy: 9.524
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: 10, replica: 9
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -280.873121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.873121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.873121 (E_RNA)
where:
Base-Base interactions energy: -127.583
where: short stacking energy: -74.425
Base-Backbone interact. energy: -0.361
local terms energy: -152.929995
where:
bonds (distance) C4'-P energy: -51.673
bonds (distance) P-C4' energy: -50.718
flat angles C4'-P-C4' energy: -39.563
flat angles P-C4'-P energy: -13.735
tors. eta vs tors. theta energy: 2.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -897.633498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.633498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.633498 (E_RNA)
where:
Base-Base interactions energy: -622.708
where: short stacking energy: -270.438
Base-Backbone interact. energy: -0.417
local terms energy: -274.508319
where:
bonds (distance) C4'-P energy: -44.944
bonds (distance) P-C4' energy: -53.081
flat angles C4'-P-C4' energy: -57.109
flat angles P-C4'-P energy: -41.003
tors. eta vs tors. theta energy: -78.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -880.605373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.605373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.605373 (E_RNA)
where:
Base-Base interactions energy: -606.524
where: short stacking energy: -259.477
Base-Backbone interact. energy: -1.593
local terms energy: -272.488606
where:
bonds (distance) C4'-P energy: -47.827
bonds (distance) P-C4' energy: -53.761
flat angles C4'-P-C4' energy: -68.022
flat angles P-C4'-P energy: -33.063
tors. eta vs tors. theta energy: -69.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -838.425606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.425606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.425606 (E_RNA)
where:
Base-Base interactions energy: -577.969
where: short stacking energy: -252.547
Base-Backbone interact. energy: -1.743
local terms energy: -258.713813
where:
bonds (distance) C4'-P energy: -51.898
bonds (distance) P-C4' energy: -54.092
flat angles C4'-P-C4' energy: -51.681
flat angles P-C4'-P energy: -36.728
tors. eta vs tors. theta energy: -64.314
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: 2
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -840.078374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.078374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.078374 (E_RNA)
where:
Base-Base interactions energy: -575.199
where: short stacking energy: -255.557
Base-Backbone interact. energy: -0.685
local terms energy: -264.193755
where:
bonds (distance) C4'-P energy: -44.440
bonds (distance) P-C4' energy: -49.099
flat angles C4'-P-C4' energy: -56.216
flat angles P-C4'-P energy: -38.260
tors. eta vs tors. theta energy: -76.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -810.956613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.956613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.956613 (E_RNA)
where:
Base-Base interactions energy: -580.182
where: short stacking energy: -241.307
Base-Backbone interact. energy: 3.155
local terms energy: -233.928895
where:
bonds (distance) C4'-P energy: -51.596
bonds (distance) P-C4' energy: -41.307
flat angles C4'-P-C4' energy: -49.729
flat angles P-C4'-P energy: -22.903
tors. eta vs tors. theta energy: -68.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -669.270889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.270889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.270889 (E_RNA)
where:
Base-Base interactions energy: -426.317
where: short stacking energy: -191.944
Base-Backbone interact. energy: -1.529
local terms energy: -241.425628
where:
bonds (distance) C4'-P energy: -49.839
bonds (distance) P-C4' energy: -48.578
flat angles C4'-P-C4' energy: -53.832
flat angles P-C4'-P energy: -37.787
tors. eta vs tors. theta energy: -51.390
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: 8
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -576.624794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.624794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.624794 (E_RNA)
where:
Base-Base interactions energy: -384.300
where: short stacking energy: -168.941
Base-Backbone interact. energy: 2.364
local terms energy: -194.689354
where:
bonds (distance) C4'-P energy: -43.769
bonds (distance) P-C4' energy: -42.234
flat angles C4'-P-C4' energy: -46.947
flat angles P-C4'-P energy: -25.536
tors. eta vs tors. theta energy: -36.204
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: 6
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -537.066128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.066128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.066128 (E_RNA)
where:
Base-Base interactions energy: -338.634
where: short stacking energy: -145.088
Base-Backbone interact. energy: -0.781
local terms energy: -197.650935
where:
bonds (distance) C4'-P energy: -46.696
bonds (distance) P-C4' energy: -46.890
flat angles C4'-P-C4' energy: -49.423
flat angles P-C4'-P energy: -29.024
tors. eta vs tors. theta energy: -25.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -326.086982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.086982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.086982 (E_RNA)
where:
Base-Base interactions energy: -160.030
where: short stacking energy: -86.891
Base-Backbone interact. energy: 1.050
local terms energy: -167.106985
where:
bonds (distance) C4'-P energy: -39.159
bonds (distance) P-C4' energy: -56.630
flat angles C4'-P-C4' energy: -32.955
flat angles P-C4'-P energy: -35.075
tors. eta vs tors. theta energy: -3.288
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: 10
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -231.526773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.526773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.526773 (E_RNA)
where:
Base-Base interactions energy: -68.640
where: short stacking energy: -60.211
Base-Backbone interact. energy: 0.102
local terms energy: -162.988571
where:
bonds (distance) C4'-P energy: -47.980
bonds (distance) P-C4' energy: -50.226
flat angles C4'-P-C4' energy: -43.226
flat angles P-C4'-P energy: -26.325
tors. eta vs tors. theta energy: 4.769
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: 357
Temperature: 0.900000
Total energy: -905.660025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.660025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.660025 (E_RNA)
where:
Base-Base interactions energy: -637.026
where: short stacking energy: -249.464
Base-Backbone interact. energy: -2.245
local terms energy: -266.388883
where:
bonds (distance) C4'-P energy: -50.536
bonds (distance) P-C4' energy: -49.941
flat angles C4'-P-C4' energy: -57.702
flat angles P-C4'-P energy: -37.295
tors. eta vs tors. theta energy: -70.916
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: 5
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -888.111984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.111984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.111984 (E_RNA)
where:
Base-Base interactions energy: -609.539
where: short stacking energy: -264.425
Base-Backbone interact. energy: -1.777
local terms energy: -276.796181
where:
bonds (distance) C4'-P energy: -54.814
bonds (distance) P-C4' energy: -52.196
flat angles C4'-P-C4' energy: -63.264
flat angles P-C4'-P energy: -33.491
tors. eta vs tors. theta energy: -73.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -842.134288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.134288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.134288 (E_RNA)
where:
Base-Base interactions energy: -579.405
where: short stacking energy: -248.960
Base-Backbone interact. energy: 0.869
local terms energy: -263.598050
where:
bonds (distance) C4'-P energy: -49.062
bonds (distance) P-C4' energy: -48.107
flat angles C4'-P-C4' energy: -55.856
flat angles P-C4'-P energy: -39.473
tors. eta vs tors. theta energy: -71.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -823.735085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.735085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.735085 (E_RNA)
where:
Base-Base interactions energy: -575.326
where: short stacking energy: -249.297
Base-Backbone interact. energy: 0.303
local terms energy: -248.711856
where:
bonds (distance) C4'-P energy: -52.886
bonds (distance) P-C4' energy: -43.582
flat angles C4'-P-C4' energy: -47.550
flat angles P-C4'-P energy: -33.560
tors. eta vs tors. theta energy: -71.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -811.884356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.884356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.884356 (E_RNA)
where:
Base-Base interactions energy: -566.559
where: short stacking energy: -242.139
Base-Backbone interact. energy: 1.277
local terms energy: -246.602369
where:
bonds (distance) C4'-P energy: -45.556
bonds (distance) P-C4' energy: -41.752
flat angles C4'-P-C4' energy: -56.257
flat angles P-C4'-P energy: -32.485
tors. eta vs tors. theta energy: -70.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -688.814945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.814945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.814945 (E_RNA)
where:
Base-Base interactions energy: -452.716
where: short stacking energy: -202.476
Base-Backbone interact. energy: -0.717
local terms energy: -235.381938
where:
bonds (distance) C4'-P energy: -53.235
bonds (distance) P-C4' energy: -48.747
flat angles C4'-P-C4' energy: -49.081
flat angles P-C4'-P energy: -34.036
tors. eta vs tors. theta energy: -50.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -567.724407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.724407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.724407 (E_RNA)
where:
Base-Base interactions energy: -380.671
where: short stacking energy: -166.994
Base-Backbone interact. energy: -0.718
local terms energy: -186.335786
where:
bonds (distance) C4'-P energy: -39.090
bonds (distance) P-C4' energy: -39.076
flat angles C4'-P-C4' energy: -43.393
flat angles P-C4'-P energy: -27.490
tors. eta vs tors. theta energy: -37.286
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: 6
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -597.385065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.385065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.385065 (E_RNA)
where:
Base-Base interactions energy: -396.567
where: short stacking energy: -164.601
Base-Backbone interact. energy: -1.801
local terms energy: -199.016980
where:
bonds (distance) C4'-P energy: -52.217
bonds (distance) P-C4' energy: -46.983
flat angles C4'-P-C4' energy: -45.930
flat angles P-C4'-P energy: -25.671
tors. eta vs tors. theta energy: -28.216
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: 9
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -330.096950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.096950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.096950 (E_RNA)
where:
Base-Base interactions energy: -146.869
where: short stacking energy: -77.528
Base-Backbone interact. energy: -0.466
local terms energy: -182.761504
where:
bonds (distance) C4'-P energy: -48.728
bonds (distance) P-C4' energy: -51.031
flat angles C4'-P-C4' energy: -38.875
flat angles P-C4'-P energy: -32.545
tors. eta vs tors. theta energy: -11.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -231.337765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.337765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.337765 (E_RNA)
where:
Base-Base interactions energy: -85.122
where: short stacking energy: -82.746
Base-Backbone interact. energy: -0.386
local terms energy: -145.830451
where:
bonds (distance) C4'-P energy: -45.203
bonds (distance) P-C4' energy: -51.022
flat angles C4'-P-C4' energy: -33.034
flat angles P-C4'-P energy: -21.030
tors. eta vs tors. theta energy: 4.459
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: 5
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -929.755422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.755422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.755422 (E_RNA)
where:
Base-Base interactions energy: -638.343
where: short stacking energy: -270.146
Base-Backbone interact. energy: -1.744
local terms energy: -289.668502
where:
bonds (distance) C4'-P energy: -55.427
bonds (distance) P-C4' energy: -55.536
flat angles C4'-P-C4' energy: -59.018
flat angles P-C4'-P energy: -47.898
tors. eta vs tors. theta energy: -71.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -895.711728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.711728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.711728 (E_RNA)
where:
Base-Base interactions energy: -610.293
where: short stacking energy: -260.663
Base-Backbone interact. energy: -3.626
local terms energy: -281.793121
where:
bonds (distance) C4'-P energy: -49.165
bonds (distance) P-C4' energy: -50.207
flat angles C4'-P-C4' energy: -58.832
flat angles P-C4'-P energy: -47.097
tors. eta vs tors. theta energy: -76.492
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: 3
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -856.461713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.461713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.461713 (E_RNA)
where:
Base-Base interactions energy: -589.185
where: short stacking energy: -250.730
Base-Backbone interact. energy: 0.687
local terms energy: -267.963669
where:
bonds (distance) C4'-P energy: -45.298
bonds (distance) P-C4' energy: -58.887
flat angles C4'-P-C4' energy: -61.970
flat angles P-C4'-P energy: -29.004
tors. eta vs tors. theta energy: -72.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -826.563226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.563226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.563226 (E_RNA)
where:
Base-Base interactions energy: -570.105
where: short stacking energy: -234.863
Base-Backbone interact. energy: 0.324
local terms energy: -256.782367
where:
bonds (distance) C4'-P energy: -42.036
bonds (distance) P-C4' energy: -49.342
flat angles C4'-P-C4' energy: -53.121
flat angles P-C4'-P energy: -40.892
tors. eta vs tors. theta energy: -71.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -815.076816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.076816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.076816 (E_RNA)
where:
Base-Base interactions energy: -567.351
where: short stacking energy: -233.922
Base-Backbone interact. energy: -1.401
local terms energy: -246.324722
where:
bonds (distance) C4'-P energy: -44.549
bonds (distance) P-C4' energy: -46.693
flat angles C4'-P-C4' energy: -55.523
flat angles P-C4'-P energy: -34.828
tors. eta vs tors. theta energy: -64.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -675.642832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.642832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.642832 (E_RNA)
where:
Base-Base interactions energy: -456.801
where: short stacking energy: -186.832
Base-Backbone interact. energy: 0.541
local terms energy: -219.383348
where:
bonds (distance) C4'-P energy: -45.916
bonds (distance) P-C4' energy: -47.141
flat angles C4'-P-C4' energy: -52.562
flat angles P-C4'-P energy: -31.444
tors. eta vs tors. theta energy: -42.319
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: 7, replica: 6
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -624.736349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.736349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.736349 (E_RNA)
where:
Base-Base interactions energy: -418.607
where: short stacking energy: -177.208
Base-Backbone interact. energy: -0.888
local terms energy: -205.241512
where:
bonds (distance) C4'-P energy: -43.398
bonds (distance) P-C4' energy: -45.781
flat angles C4'-P-C4' energy: -55.229
flat angles P-C4'-P energy: -27.492
tors. eta vs tors. theta energy: -33.341
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: 8
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -535.327159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.327159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.327159 (E_RNA)
where:
Base-Base interactions energy: -356.573
where: short stacking energy: -161.321
Base-Backbone interact. energy: 0.725
local terms energy: -179.479101
where:
bonds (distance) C4'-P energy: -44.337
bonds (distance) P-C4' energy: -44.713
flat angles C4'-P-C4' energy: -40.021
flat angles P-C4'-P energy: -28.641
tors. eta vs tors. theta energy: -21.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -334.362533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.362533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.362533 (E_RNA)
where:
Base-Base interactions energy: -173.154
where: short stacking energy: -96.059
Base-Backbone interact. energy: -1.321
local terms energy: -159.887741
where:
bonds (distance) C4'-P energy: -45.216
bonds (distance) P-C4' energy: -50.700
flat angles C4'-P-C4' energy: -42.490
flat angles P-C4'-P energy: -16.510
tors. eta vs tors. theta energy: -4.972
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: 10
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -218.793586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.793586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.793586 (E_RNA)
where:
Base-Base interactions energy: -73.910
where: short stacking energy: -72.905
Base-Backbone interact. energy: -0.400
local terms energy: -144.483502
where:
bonds (distance) C4'-P energy: -42.910
bonds (distance) P-C4' energy: -44.698
flat angles C4'-P-C4' energy: -42.481
flat angles P-C4'-P energy: -17.563
tors. eta vs tors. theta energy: 3.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -908.379722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.379722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.379722 (E_RNA)
where:
Base-Base interactions energy: -616.962
where: short stacking energy: -272.356
Base-Backbone interact. energy: -2.239
local terms energy: -289.178208
where:
bonds (distance) C4'-P energy: -50.650
bonds (distance) P-C4' energy: -57.860
flat angles C4'-P-C4' energy: -63.813
flat angles P-C4'-P energy: -40.852
tors. eta vs tors. theta energy: -76.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -867.676980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.676980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.676980 (E_RNA)
where:
Base-Base interactions energy: -591.935
where: short stacking energy: -246.983
Base-Backbone interact. energy: -0.143
local terms energy: -275.599069
where:
bonds (distance) C4'-P energy: -52.371
bonds (distance) P-C4' energy: -56.591
flat angles C4'-P-C4' energy: -57.272
flat angles P-C4'-P energy: -40.811
tors. eta vs tors. theta energy: -68.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -882.078304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.078304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.078304 (E_RNA)
where:
Base-Base interactions energy: -601.124
where: short stacking energy: -260.253
Base-Backbone interact. energy: -1.591
local terms energy: -279.363354
where:
bonds (distance) C4'-P energy: -51.149
bonds (distance) P-C4' energy: -55.260
flat angles C4'-P-C4' energy: -57.795
flat angles P-C4'-P energy: -40.747
tors. eta vs tors. theta energy: -74.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -816.554805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.554805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.554805 (E_RNA)
where:
Base-Base interactions energy: -581.990
where: short stacking energy: -234.323
Base-Backbone interact. energy: -2.025
local terms energy: -232.540011
where:
bonds (distance) C4'-P energy: -44.685
bonds (distance) P-C4' energy: -39.236
flat angles C4'-P-C4' energy: -54.294
flat angles P-C4'-P energy: -35.226
tors. eta vs tors. theta energy: -59.099
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: 2
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -845.457526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.457526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.457526 (E_RNA)
where:
Base-Base interactions energy: -565.843
where: short stacking energy: -257.041
Base-Backbone interact. energy: -2.196
local terms energy: -277.418437
where:
bonds (distance) C4'-P energy: -46.983
bonds (distance) P-C4' energy: -49.278
flat angles C4'-P-C4' energy: -56.432
flat angles P-C4'-P energy: -42.555
tors. eta vs tors. theta energy: -82.170
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: 7
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -690.417882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.417882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.417882 (E_RNA)
where:
Base-Base interactions energy: -458.285
where: short stacking energy: -200.254
Base-Backbone interact. energy: -0.582
local terms energy: -231.550041
where:
bonds (distance) C4'-P energy: -42.868
bonds (distance) P-C4' energy: -52.316
flat angles C4'-P-C4' energy: -58.582
flat angles P-C4'-P energy: -28.324
tors. eta vs tors. theta energy: -49.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -617.527975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.527975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.527975 (E_RNA)
where:
Base-Base interactions energy: -405.409
where: short stacking energy: -178.011
Base-Backbone interact. energy: 1.034
local terms energy: -213.153449
where:
bonds (distance) C4'-P energy: -46.121
bonds (distance) P-C4' energy: -40.814
flat angles C4'-P-C4' energy: -55.229
flat angles P-C4'-P energy: -36.039
tors. eta vs tors. theta energy: -34.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -563.416153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.416153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.416153 (E_RNA)
where:
Base-Base interactions energy: -362.289
where: short stacking energy: -174.334
Base-Backbone interact. energy: -0.390
local terms energy: -200.737514
where:
bonds (distance) C4'-P energy: -45.643
bonds (distance) P-C4' energy: -41.297
flat angles C4'-P-C4' energy: -50.400
flat angles P-C4'-P energy: -30.449
tors. eta vs tors. theta energy: -32.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -308.152493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.152493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.152493 (E_RNA)
where:
Base-Base interactions energy: -133.465
where: short stacking energy: -78.430
Base-Backbone interact. energy: -0.223
local terms energy: -174.464018
where:
bonds (distance) C4'-P energy: -50.875
bonds (distance) P-C4' energy: -50.101
flat angles C4'-P-C4' energy: -41.300
flat angles P-C4'-P energy: -36.514
tors. eta vs tors. theta energy: 4.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -216.812471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.812471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.812471 (E_RNA)
where:
Base-Base interactions energy: -73.260
where: short stacking energy: -66.035
Base-Backbone interact. energy: -0.872
local terms energy: -142.680629
where:
bonds (distance) C4'-P energy: -46.505
bonds (distance) P-C4' energy: -43.529
flat angles C4'-P-C4' energy: -44.934
flat angles P-C4'-P energy: -13.152
tors. eta vs tors. theta energy: 5.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -894.709199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.709199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.709199 (E_RNA)
where:
Base-Base interactions energy: -606.962
where: short stacking energy: -266.258
Base-Backbone interact. energy: -0.369
local terms energy: -287.379014
where:
bonds (distance) C4'-P energy: -55.655
bonds (distance) P-C4' energy: -53.183
flat angles C4'-P-C4' energy: -63.852
flat angles P-C4'-P energy: -44.061
tors. eta vs tors. theta energy: -70.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -879.009903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.009903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.009903 (E_RNA)
where:
Base-Base interactions energy: -612.406
where: short stacking energy: -257.980
Base-Backbone interact. energy: -2.248
local terms energy: -264.355986
where:
bonds (distance) C4'-P energy: -48.078
bonds (distance) P-C4' energy: -48.907
flat angles C4'-P-C4' energy: -60.075
flat angles P-C4'-P energy: -33.897
tors. eta vs tors. theta energy: -73.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -869.874191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.874191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.874191 (E_RNA)
where:
Base-Base interactions energy: -596.511
where: short stacking energy: -258.712
Base-Backbone interact. energy: -2.836
local terms energy: -270.527728
where:
bonds (distance) C4'-P energy: -44.267
bonds (distance) P-C4' energy: -51.962
flat angles C4'-P-C4' energy: -63.370
flat angles P-C4'-P energy: -36.224
tors. eta vs tors. theta energy: -74.705
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: 4
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -837.698427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.698427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.698427 (E_RNA)
where:
Base-Base interactions energy: -579.847
where: short stacking energy: -232.547
Base-Backbone interact. energy: -1.448
local terms energy: -256.403515
where:
bonds (distance) C4'-P energy: -48.376
bonds (distance) P-C4' energy: -49.246
flat angles C4'-P-C4' energy: -57.419
flat angles P-C4'-P energy: -41.277
tors. eta vs tors. theta energy: -60.085
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: 5, replica: 2
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -828.310791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.310791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.310791 (E_RNA)
where:
Base-Base interactions energy: -574.390
where: short stacking energy: -247.173
Base-Backbone interact. energy: -0.277
local terms energy: -253.644125
where:
bonds (distance) C4'-P energy: -39.408
bonds (distance) P-C4' energy: -48.695
flat angles C4'-P-C4' energy: -55.214
flat angles P-C4'-P energy: -39.032
tors. eta vs tors. theta energy: -71.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -691.988405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.988405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.988405 (E_RNA)
where:
Base-Base interactions energy: -463.405
where: short stacking energy: -204.977
Base-Backbone interact. energy: -0.716
local terms energy: -227.867390
where:
bonds (distance) C4'-P energy: -47.662
bonds (distance) P-C4' energy: -50.482
flat angles C4'-P-C4' energy: -42.735
flat angles P-C4'-P energy: -33.490
tors. eta vs tors. theta energy: -53.498
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: 8
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -598.320053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.320053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.320053 (E_RNA)
where:
Base-Base interactions energy: -390.560
where: short stacking energy: -172.346
Base-Backbone interact. energy: -0.744
local terms energy: -207.016243
where:
bonds (distance) C4'-P energy: -44.817
bonds (distance) P-C4' energy: -44.707
flat angles C4'-P-C4' energy: -50.633
flat angles P-C4'-P energy: -28.944
tors. eta vs tors. theta energy: -37.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -584.008470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.008470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.008470 (E_RNA)
where:
Base-Base interactions energy: -377.643
where: short stacking energy: -152.258
Base-Backbone interact. energy: 0.625
local terms energy: -206.989612
where:
bonds (distance) C4'-P energy: -48.798
bonds (distance) P-C4' energy: -46.817
flat angles C4'-P-C4' energy: -54.945
flat angles P-C4'-P energy: -25.093
tors. eta vs tors. theta energy: -31.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -299.030903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.030903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.030903 (E_RNA)
where:
Base-Base interactions energy: -140.720
where: short stacking energy: -90.697
Base-Backbone interact. energy: 2.739
local terms energy: -161.050307
where:
bonds (distance) C4'-P energy: -41.275
bonds (distance) P-C4' energy: -47.785
flat angles C4'-P-C4' energy: -44.883
flat angles P-C4'-P energy: -18.198
tors. eta vs tors. theta energy: -8.909
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: 10
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -219.926590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.926590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.926590 (E_RNA)
where:
Base-Base interactions energy: -76.611
where: short stacking energy: -66.765
Base-Backbone interact. energy: -0.474
local terms energy: -142.840866
where:
bonds (distance) C4'-P energy: -45.045
bonds (distance) P-C4' energy: -50.686
flat angles C4'-P-C4' energy: -43.113
flat angles P-C4'-P energy: -13.830
tors. eta vs tors. theta energy: 9.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -914.938739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.938739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.938739 (E_RNA)
where:
Base-Base interactions energy: -637.873
where: short stacking energy: -272.687
Base-Backbone interact. energy: -2.098
local terms energy: -274.967075
where:
bonds (distance) C4'-P energy: -53.910
bonds (distance) P-C4' energy: -58.319
flat angles C4'-P-C4' energy: -54.345
flat angles P-C4'-P energy: -34.419
tors. eta vs tors. theta energy: -73.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -888.310937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.310937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.310937 (E_RNA)
where:
Base-Base interactions energy: -614.326
where: short stacking energy: -251.373
Base-Backbone interact. energy: -2.878
local terms energy: -271.106419
where:
bonds (distance) C4'-P energy: -46.568
bonds (distance) P-C4' energy: -56.703
flat angles C4'-P-C4' energy: -57.994
flat angles P-C4'-P energy: -35.340
tors. eta vs tors. theta energy: -74.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -867.151732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.151732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.151732 (E_RNA)
where:
Base-Base interactions energy: -588.461
where: short stacking energy: -266.924
Base-Backbone interact. energy: -0.720
local terms energy: -277.970229
where:
bonds (distance) C4'-P energy: -53.913
bonds (distance) P-C4' energy: -54.157
flat angles C4'-P-C4' energy: -58.652
flat angles P-C4'-P energy: -39.946
tors. eta vs tors. theta energy: -71.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -855.433678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.433678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.433678 (E_RNA)
where:
Base-Base interactions energy: -580.496
where: short stacking energy: -261.578
Base-Backbone interact. energy: 1.436
local terms energy: -276.373871
where:
bonds (distance) C4'-P energy: -51.868
bonds (distance) P-C4' energy: -46.754
flat angles C4'-P-C4' energy: -59.712
flat angles P-C4'-P energy: -41.273
tors. eta vs tors. theta energy: -76.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -790.615121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.615121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.615121 (E_RNA)
where:
Base-Base interactions energy: -553.897
where: short stacking energy: -231.473
Base-Backbone interact. energy: -1.188
local terms energy: -235.530471
where:
bonds (distance) C4'-P energy: -51.800
bonds (distance) P-C4' energy: -43.149
flat angles C4'-P-C4' energy: -49.496
flat angles P-C4'-P energy: -32.802
tors. eta vs tors. theta energy: -58.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -720.180489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.180489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.180489 (E_RNA)
where:
Base-Base interactions energy: -489.731
where: short stacking energy: -213.761
Base-Backbone interact. energy: -1.568
local terms energy: -228.881591
where:
bonds (distance) C4'-P energy: -52.418
bonds (distance) P-C4' energy: -36.692
flat angles C4'-P-C4' energy: -47.324
flat angles P-C4'-P energy: -28.792
tors. eta vs tors. theta energy: -63.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -574.034641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.034641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.034641 (E_RNA)
where:
Base-Base interactions energy: -369.314
where: short stacking energy: -176.860
Base-Backbone interact. energy: -0.703
local terms energy: -204.017814
where:
bonds (distance) C4'-P energy: -47.422
bonds (distance) P-C4' energy: -44.654
flat angles C4'-P-C4' energy: -36.503
flat angles P-C4'-P energy: -41.525
tors. eta vs tors. theta energy: -33.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -606.996854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.996854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.996854 (E_RNA)
where:
Base-Base interactions energy: -393.710
where: short stacking energy: -179.563
Base-Backbone interact. energy: -0.793
local terms energy: -212.494194
where:
bonds (distance) C4'-P energy: -54.150
bonds (distance) P-C4' energy: -43.140
flat angles C4'-P-C4' energy: -39.790
flat angles P-C4'-P energy: -27.938
tors. eta vs tors. theta energy: -47.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -327.856981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.856981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.856981 (E_RNA)
where:
Base-Base interactions energy: -152.426
where: short stacking energy: -89.529
Base-Backbone interact. energy: -0.796
local terms energy: -174.635553
where:
bonds (distance) C4'-P energy: -44.855
bonds (distance) P-C4' energy: -48.926
flat angles C4'-P-C4' energy: -48.759
flat angles P-C4'-P energy: -24.162
tors. eta vs tors. theta energy: -7.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -216.089848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.089848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.089848 (E_RNA)
where:
Base-Base interactions energy: -70.741
where: short stacking energy: -68.331
Base-Backbone interact. energy: 4.443
local terms energy: -149.791447
where:
bonds (distance) C4'-P energy: -42.209
bonds (distance) P-C4' energy: -48.624
flat angles C4'-P-C4' energy: -35.734
flat angles P-C4'-P energy: -25.577
tors. eta vs tors. theta energy: 2.353
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: 5
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -902.943282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.943282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.943282 (E_RNA)
where:
Base-Base interactions energy: -623.881
where: short stacking energy: -270.416
Base-Backbone interact. energy: -0.750
local terms energy: -278.311459
where:
bonds (distance) C4'-P energy: -47.728
bonds (distance) P-C4' energy: -49.067
flat angles C4'-P-C4' energy: -56.869
flat angles P-C4'-P energy: -46.137
tors. eta vs tors. theta energy: -78.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -887.607085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.607085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.607085 (E_RNA)
where:
Base-Base interactions energy: -615.369
where: short stacking energy: -262.236
Base-Backbone interact. energy: 0.239
local terms energy: -272.476343
where:
bonds (distance) C4'-P energy: -56.027
bonds (distance) P-C4' energy: -53.166
flat angles C4'-P-C4' energy: -58.313
flat angles P-C4'-P energy: -35.846
tors. eta vs tors. theta energy: -69.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -874.180976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.180976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.180976 (E_RNA)
where:
Base-Base interactions energy: -608.410
where: short stacking energy: -240.216
Base-Backbone interact. energy: -1.436
local terms energy: -264.334903
where:
bonds (distance) C4'-P energy: -53.583
bonds (distance) P-C4' energy: -49.416
flat angles C4'-P-C4' energy: -55.693
flat angles P-C4'-P energy: -40.293
tors. eta vs tors. theta energy: -65.351
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: 4, replica: 2
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -852.485639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.485639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.485639 (E_RNA)
where:
Base-Base interactions energy: -569.408
where: short stacking energy: -266.651
Base-Backbone interact. energy: -2.184
local terms energy: -280.893586
where:
bonds (distance) C4'-P energy: -41.555
bonds (distance) P-C4' energy: -57.040
flat angles C4'-P-C4' energy: -60.123
flat angles P-C4'-P energy: -50.780
tors. eta vs tors. theta energy: -71.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -784.174298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.174298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.174298 (E_RNA)
where:
Base-Base interactions energy: -550.440
where: short stacking energy: -239.099
Base-Backbone interact. energy: -0.801
local terms energy: -232.932666
where:
bonds (distance) C4'-P energy: -48.134
bonds (distance) P-C4' energy: -44.563
flat angles C4'-P-C4' energy: -49.678
flat angles P-C4'-P energy: -27.690
tors. eta vs tors. theta energy: -62.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -717.544883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.544883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.544883 (E_RNA)
where:
Base-Base interactions energy: -481.808
where: short stacking energy: -206.010
Base-Backbone interact. energy: -0.206
local terms energy: -235.530626
where:
bonds (distance) C4'-P energy: -44.510
bonds (distance) P-C4' energy: -47.428
flat angles C4'-P-C4' energy: -50.901
flat angles P-C4'-P energy: -38.242
tors. eta vs tors. theta energy: -54.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -636.171878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.171878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.171878 (E_RNA)
where:
Base-Base interactions energy: -432.372
where: short stacking energy: -192.753
Base-Backbone interact. energy: 0.646
local terms energy: -204.445832
where:
bonds (distance) C4'-P energy: -46.248
bonds (distance) P-C4' energy: -39.853
flat angles C4'-P-C4' energy: -45.296
flat angles P-C4'-P energy: -27.757
tors. eta vs tors. theta energy: -45.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -579.416198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.416198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.416198 (E_RNA)
where:
Base-Base interactions energy: -366.473
where: short stacking energy: -166.336
Base-Backbone interact. energy: -1.568
local terms energy: -211.375534
where:
bonds (distance) C4'-P energy: -51.094
bonds (distance) P-C4' energy: -40.913
flat angles C4'-P-C4' energy: -39.169
flat angles P-C4'-P energy: -41.970
tors. eta vs tors. theta energy: -38.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -303.483202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.483202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.483202 (E_RNA)
where:
Base-Base interactions energy: -145.810
where: short stacking energy: -93.348
Base-Backbone interact. energy: 0.274
local terms energy: -157.947785
where:
bonds (distance) C4'-P energy: -37.194
bonds (distance) P-C4' energy: -51.923
flat angles C4'-P-C4' energy: -38.072
flat angles P-C4'-P energy: -16.623
tors. eta vs tors. theta energy: -14.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -222.940855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.940855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.940855 (E_RNA)
where:
Base-Base interactions energy: -97.316
where: short stacking energy: -66.147
Base-Backbone interact. energy: 1.193
local terms energy: -126.818330
where:
bonds (distance) C4'-P energy: -40.704
bonds (distance) P-C4' energy: -47.751
flat angles C4'-P-C4' energy: -33.107
flat angles P-C4'-P energy: -18.423
tors. eta vs tors. theta energy: 13.167
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: 5
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -902.287986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.287986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.287986 (E_RNA)
where:
Base-Base interactions energy: -629.008
where: short stacking energy: -283.065
Base-Backbone interact. energy: -1.825
local terms energy: -271.454962
where:
bonds (distance) C4'-P energy: -42.868
bonds (distance) P-C4' energy: -53.655
flat angles C4'-P-C4' energy: -55.573
flat angles P-C4'-P energy: -41.504
tors. eta vs tors. theta energy: -77.855
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: 2, replica: 1
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -882.590762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.590762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.590762 (E_RNA)
where:
Base-Base interactions energy: -606.012
where: short stacking energy: -263.798
Base-Backbone interact. energy: 0.735
local terms energy: -277.313700
where:
bonds (distance) C4'-P energy: -51.843
bonds (distance) P-C4' energy: -54.445
flat angles C4'-P-C4' energy: -62.526
flat angles P-C4'-P energy: -33.541
tors. eta vs tors. theta energy: -74.959
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: 3, replica: 3
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -875.020019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.020019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.020019 (E_RNA)
where:
Base-Base interactions energy: -592.555
where: short stacking energy: -262.056
Base-Backbone interact. energy: -1.192
local terms energy: -281.272342
where:
bonds (distance) C4'-P energy: -53.455
bonds (distance) P-C4' energy: -50.244
flat angles C4'-P-C4' energy: -59.292
flat angles P-C4'-P energy: -47.198
tors. eta vs tors. theta energy: -71.084
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: 4
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -804.332775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.332775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.332775 (E_RNA)
where:
Base-Base interactions energy: -544.798
where: short stacking energy: -236.256
Base-Backbone interact. energy: -1.748
local terms energy: -257.787091
where:
bonds (distance) C4'-P energy: -54.163
bonds (distance) P-C4' energy: -47.008
flat angles C4'-P-C4' energy: -60.656
flat angles P-C4'-P energy: -33.356
tors. eta vs tors. theta energy: -62.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -842.979932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.979932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.979932 (E_RNA)
where:
Base-Base interactions energy: -583.852
where: short stacking energy: -257.470
Base-Backbone interact. energy: -0.434
local terms energy: -258.694495
where:
bonds (distance) C4'-P energy: -42.271
bonds (distance) P-C4' energy: -44.828
flat angles C4'-P-C4' energy: -58.746
flat angles P-C4'-P energy: -35.550
tors. eta vs tors. theta energy: -77.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -682.475155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.475155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.475155 (E_RNA)
where:
Base-Base interactions energy: -459.013
where: short stacking energy: -188.922
Base-Backbone interact. energy: -1.651
local terms energy: -221.810799
where:
bonds (distance) C4'-P energy: -48.647
bonds (distance) P-C4' energy: -40.073
flat angles C4'-P-C4' energy: -57.577
flat angles P-C4'-P energy: -31.666
tors. eta vs tors. theta energy: -43.848
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: 7, replica: 7
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -668.461297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.461297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.461297 (E_RNA)
where:
Base-Base interactions energy: -433.606
where: short stacking energy: -175.095
Base-Backbone interact. energy: 1.600
local terms energy: -236.455249
where:
bonds (distance) C4'-P energy: -55.334
bonds (distance) P-C4' energy: -50.260
flat angles C4'-P-C4' energy: -52.840
flat angles P-C4'-P energy: -36.039
tors. eta vs tors. theta energy: -41.983
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: 8, replica: 8
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -577.155676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.155676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.155676 (E_RNA)
where:
Base-Base interactions energy: -368.440
where: short stacking energy: -166.281
Base-Backbone interact. energy: 0.158
local terms energy: -208.873462
where:
bonds (distance) C4'-P energy: -40.914
bonds (distance) P-C4' energy: -44.898
flat angles C4'-P-C4' energy: -46.919
flat angles P-C4'-P energy: -32.791
tors. eta vs tors. theta energy: -43.351
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: 9
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -289.006367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.006367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.006367 (E_RNA)
where:
Base-Base interactions energy: -134.415
where: short stacking energy: -83.725
Base-Backbone interact. energy: 4.105
local terms energy: -158.695663
where:
bonds (distance) C4'-P energy: -46.028
bonds (distance) P-C4' energy: -40.375
flat angles C4'-P-C4' energy: -37.417
flat angles P-C4'-P energy: -27.184
tors. eta vs tors. theta energy: -7.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -228.771790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.771790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.771790 (E_RNA)
where:
Base-Base interactions energy: -83.392
where: short stacking energy: -70.626
Base-Backbone interact. energy: 2.700
local terms energy: -148.079101
where:
bonds (distance) C4'-P energy: -47.513
bonds (distance) P-C4' energy: -47.105
flat angles C4'-P-C4' energy: -41.513
flat angles P-C4'-P energy: -22.300
tors. eta vs tors. theta energy: 10.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -918.217818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.217818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.217818 (E_RNA)
where:
Base-Base interactions energy: -623.857
where: short stacking energy: -267.175
Base-Backbone interact. energy: 0.973
local terms energy: -295.333883
where:
bonds (distance) C4'-P energy: -55.378
bonds (distance) P-C4' energy: -59.664
flat angles C4'-P-C4' energy: -63.894
flat angles P-C4'-P energy: -46.369
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: 2, replica: 1
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -888.957525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.957525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.957525 (E_RNA)
where:
Base-Base interactions energy: -591.369
where: short stacking energy: -252.368
Base-Backbone interact. energy: -1.174
local terms energy: -296.414840
where:
bonds (distance) C4'-P energy: -54.593
bonds (distance) P-C4' energy: -59.020
flat angles C4'-P-C4' energy: -60.277
flat angles P-C4'-P energy: -41.918
tors. eta vs tors. theta energy: -80.606
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: 3
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -882.249165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.249165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.249165 (E_RNA)
where:
Base-Base interactions energy: -599.263
where: short stacking energy: -256.724
Base-Backbone interact. energy: -0.802
local terms energy: -282.184163
where:
bonds (distance) C4'-P energy: -48.492
bonds (distance) P-C4' energy: -56.521
flat angles C4'-P-C4' energy: -58.804
flat angles P-C4'-P energy: -48.725
tors. eta vs tors. theta energy: -69.642
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: 4
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -838.667541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.667541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.667541 (E_RNA)
where:
Base-Base interactions energy: -572.471
where: short stacking energy: -252.617
Base-Backbone interact. energy: -1.188
local terms energy: -265.008728
where:
bonds (distance) C4'-P energy: -53.393
bonds (distance) P-C4' energy: -48.947
flat angles C4'-P-C4' energy: -62.249
flat angles P-C4'-P energy: -29.947
tors. eta vs tors. theta energy: -70.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -813.870154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.870154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.870154 (E_RNA)
where:
Base-Base interactions energy: -552.376
where: short stacking energy: -236.267
Base-Backbone interact. energy: -1.087
local terms energy: -260.407281
where:
bonds (distance) C4'-P energy: -45.163
bonds (distance) P-C4' energy: -48.530
flat angles C4'-P-C4' energy: -55.384
flat angles P-C4'-P energy: -39.016
tors. eta vs tors. theta energy: -72.315
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: 6
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -658.339891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.339891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.339891 (E_RNA)
where:
Base-Base interactions energy: -421.761
where: short stacking energy: -173.224
Base-Backbone interact. energy: -1.206
local terms energy: -235.372775
where:
bonds (distance) C4'-P energy: -48.946
bonds (distance) P-C4' energy: -56.890
flat angles C4'-P-C4' energy: -56.575
flat angles P-C4'-P energy: -37.885
tors. eta vs tors. theta energy: -35.076
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: 7
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -681.649920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.649920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.649920 (E_RNA)
where:
Base-Base interactions energy: -453.190
where: short stacking energy: -193.844
Base-Backbone interact. energy: 0.854
local terms energy: -229.313640
where:
bonds (distance) C4'-P energy: -41.001
bonds (distance) P-C4' energy: -46.891
flat angles C4'-P-C4' energy: -59.625
flat angles P-C4'-P energy: -27.553
tors. eta vs tors. theta energy: -54.243
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: 8
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -601.198735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.198735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.198735 (E_RNA)
where:
Base-Base interactions energy: -398.712
where: short stacking energy: -187.099
Base-Backbone interact. energy: 0.502
local terms energy: -202.988753
where:
bonds (distance) C4'-P energy: -37.474
bonds (distance) P-C4' energy: -50.655
flat angles C4'-P-C4' energy: -44.784
flat angles P-C4'-P energy: -24.093
tors. eta vs tors. theta energy: -45.983
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: 9, replica: 10
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -240.375802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.375802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.375802 (E_RNA)
where:
Base-Base interactions energy: -79.742
where: short stacking energy: -71.310
Base-Backbone interact. energy: -0.471
local terms energy: -160.162915
where:
bonds (distance) C4'-P energy: -52.832
bonds (distance) P-C4' energy: -50.906
flat angles C4'-P-C4' energy: -31.105
flat angles P-C4'-P energy: -28.355
tors. eta vs tors. theta energy: 3.035
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: 9
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -306.450452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.450452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.450452 (E_RNA)
where:
Base-Base interactions energy: -147.173
where: short stacking energy: -86.698
Base-Backbone interact. energy: -1.566
local terms energy: -157.711014
where:
bonds (distance) C4'-P energy: -38.403
bonds (distance) P-C4' energy: -49.463
flat angles C4'-P-C4' energy: -39.814
flat angles P-C4'-P energy: -30.063
tors. eta vs tors. theta energy: 0.032
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: 1, replica: 5
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -903.072376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.072376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.072376 (E_RNA)
where:
Base-Base interactions energy: -646.274
where: short stacking energy: -266.418
Base-Backbone interact. energy: 0.593
local terms energy: -257.391263
where:
bonds (distance) C4'-P energy: -42.766
bonds (distance) P-C4' energy: -51.826
flat angles C4'-P-C4' energy: -59.214
flat angles P-C4'-P energy: -32.147
tors. eta vs tors. theta energy: -71.438
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: 1
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -881.585132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.585132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.585132 (E_RNA)
where:
Base-Base interactions energy: -600.322
where: short stacking energy: -258.898
Base-Backbone interact. energy: -1.262
local terms energy: -280.001498
where:
bonds (distance) C4'-P energy: -50.253
bonds (distance) P-C4' energy: -53.131
flat angles C4'-P-C4' energy: -62.696
flat angles P-C4'-P energy: -35.955
tors. eta vs tors. theta energy: -77.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -820.632711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.632711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.632711 (E_RNA)
where:
Base-Base interactions energy: -568.804
where: short stacking energy: -235.492
Base-Backbone interact. energy: 0.343
local terms energy: -252.171630
where:
bonds (distance) C4'-P energy: -48.278
bonds (distance) P-C4' energy: -36.905
flat angles C4'-P-C4' energy: -58.570
flat angles P-C4'-P energy: -39.727
tors. eta vs tors. theta energy: -68.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -837.885526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.885526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.885526 (E_RNA)
where:
Base-Base interactions energy: -579.622
where: short stacking energy: -242.642
Base-Backbone interact. energy: -1.033
local terms energy: -257.230435
where:
bonds (distance) C4'-P energy: -46.785
bonds (distance) P-C4' energy: -51.590
flat angles C4'-P-C4' energy: -54.267
flat angles P-C4'-P energy: -29.561
tors. eta vs tors. theta energy: -75.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -816.380307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.380307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.380307 (E_RNA)
where:
Base-Base interactions energy: -554.668
where: short stacking energy: -230.171
Base-Backbone interact. energy: 1.959
local terms energy: -263.670831
where:
bonds (distance) C4'-P energy: -51.659
bonds (distance) P-C4' energy: -54.447
flat angles C4'-P-C4' energy: -53.701
flat angles P-C4'-P energy: -37.204
tors. eta vs tors. theta energy: -66.660
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: 6, replica: 7
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -672.966534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.966534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.966534 (E_RNA)
where:
Base-Base interactions energy: -453.187
where: short stacking energy: -188.014
Base-Backbone interact. energy: 1.227
local terms energy: -221.006434
where:
bonds (distance) C4'-P energy: -42.950
bonds (distance) P-C4' energy: -53.235
flat angles C4'-P-C4' energy: -51.885
flat angles P-C4'-P energy: -31.125
tors. eta vs tors. theta energy: -41.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -670.616102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.616102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.616102 (E_RNA)
where:
Base-Base interactions energy: -446.359
where: short stacking energy: -186.509
Base-Backbone interact. energy: -0.944
local terms energy: -223.312771
where:
bonds (distance) C4'-P energy: -46.506
bonds (distance) P-C4' energy: -48.196
flat angles C4'-P-C4' energy: -49.991
flat angles P-C4'-P energy: -32.339
tors. eta vs tors. theta energy: -46.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -577.124990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.124990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.124990 (E_RNA)
where:
Base-Base interactions energy: -358.682
where: short stacking energy: -164.699
Base-Backbone interact. energy: -0.791
local terms energy: -217.652101
where:
bonds (distance) C4'-P energy: -45.855
bonds (distance) P-C4' energy: -60.927
flat angles C4'-P-C4' energy: -41.044
flat angles P-C4'-P energy: -33.039
tors. eta vs tors. theta energy: -36.787
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: 9, replica: 10
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -251.767245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.767245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.767245 (E_RNA)
where:
Base-Base interactions energy: -96.125
where: short stacking energy: -74.184
Base-Backbone interact. energy: -0.123
local terms energy: -155.518620
where:
bonds (distance) C4'-P energy: -39.584
bonds (distance) P-C4' energy: -44.584
flat angles C4'-P-C4' energy: -25.714
flat angles P-C4'-P energy: -36.103
tors. eta vs tors. theta energy: -9.534
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: 10, replica: 9
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -289.411245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.411245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.411245 (E_RNA)
where:
Base-Base interactions energy: -133.433
where: short stacking energy: -63.140
Base-Backbone interact. energy: 1.565
local terms energy: -157.542815
where:
bonds (distance) C4'-P energy: -47.549
bonds (distance) P-C4' energy: -47.641
flat angles C4'-P-C4' energy: -38.513
flat angles P-C4'-P energy: -19.126
tors. eta vs tors. theta energy: -4.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -907.023979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.023979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.023979 (E_RNA)
where:
Base-Base interactions energy: -635.347
where: short stacking energy: -274.555
Base-Backbone interact. energy: -0.447
local terms energy: -271.230292
where:
bonds (distance) C4'-P energy: -49.362
bonds (distance) P-C4' energy: -50.536
flat angles C4'-P-C4' energy: -58.564
flat angles P-C4'-P energy: -42.780
tors. eta vs tors. theta energy: -69.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -900.454125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.454125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.454125 (E_RNA)
where:
Base-Base interactions energy: -612.153
where: short stacking energy: -271.895
Base-Backbone interact. energy: 0.446
local terms energy: -288.747714
where:
bonds (distance) C4'-P energy: -58.454
bonds (distance) P-C4' energy: -52.773
flat angles C4'-P-C4' energy: -58.918
flat angles P-C4'-P energy: -45.996
tors. eta vs tors. theta energy: -72.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -872.826668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.826668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.826668 (E_RNA)
where:
Base-Base interactions energy: -585.905
where: short stacking energy: -251.182
Base-Backbone interact. energy: -1.027
local terms energy: -285.895030
where:
bonds (distance) C4'-P energy: -56.889
bonds (distance) P-C4' energy: -58.287
flat angles C4'-P-C4' energy: -62.698
flat angles P-C4'-P energy: -36.168
tors. eta vs tors. theta energy: -71.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -821.894222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.894222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.894222 (E_RNA)
where:
Base-Base interactions energy: -557.315
where: short stacking energy: -239.585
Base-Backbone interact. energy: -0.668
local terms energy: -263.911086
where:
bonds (distance) C4'-P energy: -54.098
bonds (distance) P-C4' energy: -55.074
flat angles C4'-P-C4' energy: -52.530
flat angles P-C4'-P energy: -32.100
tors. eta vs tors. theta energy: -70.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -803.033336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.033336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.033336 (E_RNA)
where:
Base-Base interactions energy: -545.536
where: short stacking energy: -227.562
Base-Backbone interact. energy: -0.787
local terms energy: -256.710299
where:
bonds (distance) C4'-P energy: -41.455
bonds (distance) P-C4' energy: -53.969
flat angles C4'-P-C4' energy: -62.424
flat angles P-C4'-P energy: -33.939
tors. eta vs tors. theta energy: -64.924
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: 6, replica: 7
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -710.126844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.126844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.126844 (E_RNA)
where:
Base-Base interactions energy: -475.158
where: short stacking energy: -200.785
Base-Backbone interact. energy: -0.963
local terms energy: -234.005144
where:
bonds (distance) C4'-P energy: -52.458
bonds (distance) P-C4' energy: -52.951
flat angles C4'-P-C4' energy: -46.085
flat angles P-C4'-P energy: -33.154
tors. eta vs tors. theta energy: -49.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -642.510130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.510130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.510130 (E_RNA)
where:
Base-Base interactions energy: -442.818
where: short stacking energy: -200.347
Base-Backbone interact. energy: -0.963
local terms energy: -198.729787
where:
bonds (distance) C4'-P energy: -33.015
bonds (distance) P-C4' energy: -37.109
flat angles C4'-P-C4' energy: -47.505
flat angles P-C4'-P energy: -34.501
tors. eta vs tors. theta energy: -46.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -545.591743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.591743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.591743 (E_RNA)
where:
Base-Base interactions energy: -342.091
where: short stacking energy: -152.140
Base-Backbone interact. energy: 0.330
local terms energy: -203.830741
where:
bonds (distance) C4'-P energy: -50.303
bonds (distance) P-C4' energy: -48.162
flat angles C4'-P-C4' energy: -43.027
flat angles P-C4'-P energy: -31.822
tors. eta vs tors. theta energy: -30.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -292.908415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.908415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.908415 (E_RNA)
where:
Base-Base interactions energy: -116.055
where: short stacking energy: -70.680
Base-Backbone interact. energy: -1.234
local terms energy: -175.619738
where:
bonds (distance) C4'-P energy: -43.749
bonds (distance) P-C4' energy: -54.373
flat angles C4'-P-C4' energy: -49.147
flat angles P-C4'-P energy: -29.827
tors. eta vs tors. theta energy: 1.476
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: 10, replica: 10
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -242.100296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.100296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.100296 (E_RNA)
where:
Base-Base interactions energy: -99.625
where: short stacking energy: -77.687
Base-Backbone interact. energy: 2.361
local terms energy: -144.835511
where:
bonds (distance) C4'-P energy: -41.533
bonds (distance) P-C4' energy: -41.927
flat angles C4'-P-C4' energy: -40.440
flat angles P-C4'-P energy: -25.775
tors. eta vs tors. theta energy: 4.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -909.595536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.595536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.595536 (E_RNA)
where:
Base-Base interactions energy: -631.592
where: short stacking energy: -278.328
Base-Backbone interact. energy: -0.134
local terms energy: -277.870029
where:
bonds (distance) C4'-P energy: -53.843
bonds (distance) P-C4' energy: -51.454
flat angles C4'-P-C4' energy: -60.947
flat angles P-C4'-P energy: -40.565
tors. eta vs tors. theta energy: -71.062
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: 1
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -899.870076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.870076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.870076 (E_RNA)
where:
Base-Base interactions energy: -622.644
where: short stacking energy: -281.080
Base-Backbone interact. energy: -0.108
local terms energy: -277.118396
where:
bonds (distance) C4'-P energy: -50.319
bonds (distance) P-C4' energy: -53.878
flat angles C4'-P-C4' energy: -58.742
flat angles P-C4'-P energy: -44.356
tors. eta vs tors. theta energy: -69.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -886.100509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.100509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.100509 (E_RNA)
where:
Base-Base interactions energy: -617.257
where: short stacking energy: -266.539
Base-Backbone interact. energy: -1.104
local terms energy: -267.739828
where:
bonds (distance) C4'-P energy: -52.379
bonds (distance) P-C4' energy: -47.186
flat angles C4'-P-C4' energy: -55.838
flat angles P-C4'-P energy: -34.494
tors. eta vs tors. theta energy: -77.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -824.323382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.323382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.323382 (E_RNA)
where:
Base-Base interactions energy: -563.280
where: short stacking energy: -229.954
Base-Backbone interact. energy: -0.672
local terms energy: -260.371320
where:
bonds (distance) C4'-P energy: -55.408
bonds (distance) P-C4' energy: -51.671
flat angles C4'-P-C4' energy: -46.084
flat angles P-C4'-P energy: -40.756
tors. eta vs tors. theta energy: -66.452
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: 5, replica: 4
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -799.371499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.371499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.371499 (E_RNA)
where:
Base-Base interactions energy: -538.576
where: short stacking energy: -219.619
Base-Backbone interact. energy: -0.998
local terms energy: -259.797437
where:
bonds (distance) C4'-P energy: -45.262
bonds (distance) P-C4' energy: -56.249
flat angles C4'-P-C4' energy: -55.804
flat angles P-C4'-P energy: -43.676
tors. eta vs tors. theta energy: -58.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -697.369444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.369444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.369444 (E_RNA)
where:
Base-Base interactions energy: -485.136
where: short stacking energy: -208.980
Base-Backbone interact. energy: -0.997
local terms energy: -211.236654
where:
bonds (distance) C4'-P energy: -38.596
bonds (distance) P-C4' energy: -44.167
flat angles C4'-P-C4' energy: -42.695
flat angles P-C4'-P energy: -32.568
tors. eta vs tors. theta energy: -53.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -663.540713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.540713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.540713 (E_RNA)
where:
Base-Base interactions energy: -454.811
where: short stacking energy: -200.589
Base-Backbone interact. energy: -0.026
local terms energy: -208.703234
where:
bonds (distance) C4'-P energy: -38.332
bonds (distance) P-C4' energy: -45.083
flat angles C4'-P-C4' energy: -49.941
flat angles P-C4'-P energy: -28.190
tors. eta vs tors. theta energy: -47.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -568.014776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.014776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.014776 (E_RNA)
where:
Base-Base interactions energy: -378.261
where: short stacking energy: -155.985
Base-Backbone interact. energy: -1.242
local terms energy: -188.511501
where:
bonds (distance) C4'-P energy: -30.701
bonds (distance) P-C4' energy: -46.705
flat angles C4'-P-C4' energy: -47.773
flat angles P-C4'-P energy: -31.074
tors. eta vs tors. theta energy: -32.259
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: 9
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -294.892368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.892368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.892368 (E_RNA)
where:
Base-Base interactions energy: -128.712
where: short stacking energy: -84.306
Base-Backbone interact. energy: 2.421
local terms energy: -168.600588
where:
bonds (distance) C4'-P energy: -41.192
bonds (distance) P-C4' energy: -56.035
flat angles C4'-P-C4' energy: -37.156
flat angles P-C4'-P energy: -26.668
tors. eta vs tors. theta energy: -7.549
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: 10, replica: 10
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -233.564937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.564937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.564937 (E_RNA)
where:
Base-Base interactions energy: -76.994
where: short stacking energy: -68.732
Base-Backbone interact. energy: 0.366
local terms energy: -156.937369
where:
bonds (distance) C4'-P energy: -43.528
bonds (distance) P-C4' energy: -48.847
flat angles C4'-P-C4' energy: -44.887
flat angles P-C4'-P energy: -19.965
tors. eta vs tors. theta energy: 0.289
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: 5
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -921.501482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.501482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.501482 (E_RNA)
where:
Base-Base interactions energy: -631.768
where: short stacking energy: -272.930
Base-Backbone interact. energy: -1.956
local terms energy: -287.777153
where:
bonds (distance) C4'-P energy: -49.843
bonds (distance) P-C4' energy: -52.606
flat angles C4'-P-C4' energy: -61.874
flat angles P-C4'-P energy: -46.457
tors. eta vs tors. theta energy: -76.998
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: 1
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -864.785098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.785098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.785098 (E_RNA)
where:
Base-Base interactions energy: -602.702
where: short stacking energy: -260.617
Base-Backbone interact. energy: -0.505
local terms energy: -261.578209
where:
bonds (distance) C4'-P energy: -46.312
bonds (distance) P-C4' energy: -52.967
flat angles C4'-P-C4' energy: -56.208
flat angles P-C4'-P energy: -35.138
tors. eta vs tors. theta energy: -70.953
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: 3, replica: 3
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -865.397980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.397980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.397980 (E_RNA)
where:
Base-Base interactions energy: -606.041
where: short stacking energy: -244.402
Base-Backbone interact. energy: -0.018
local terms energy: -259.339223
where:
bonds (distance) C4'-P energy: -47.491
bonds (distance) P-C4' energy: -52.942
flat angles C4'-P-C4' energy: -55.357
flat angles P-C4'-P energy: -27.362
tors. eta vs tors. theta energy: -76.188
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: 4, replica: 2
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -839.081816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.081816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.081816 (E_RNA)
where:
Base-Base interactions energy: -567.789
where: short stacking energy: -240.233
Base-Backbone interact. energy: -1.234
local terms energy: -270.058857
where:
bonds (distance) C4'-P energy: -50.859
bonds (distance) P-C4' energy: -51.465
flat angles C4'-P-C4' energy: -55.388
flat angles P-C4'-P energy: -42.996
tors. eta vs tors. theta energy: -69.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -822.179239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.179239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.179239 (E_RNA)
where:
Base-Base interactions energy: -555.520
where: short stacking energy: -246.281
Base-Backbone interact. energy: -0.990
local terms energy: -265.668592
where:
bonds (distance) C4'-P energy: -50.431
bonds (distance) P-C4' energy: -48.355
flat angles C4'-P-C4' energy: -61.965
flat angles P-C4'-P energy: -42.606
tors. eta vs tors. theta energy: -62.311
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: 7
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -671.012801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.012801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.012801 (E_RNA)
where:
Base-Base interactions energy: -457.164
where: short stacking energy: -186.424
Base-Backbone interact. energy: -1.511
local terms energy: -212.337717
where:
bonds (distance) C4'-P energy: -41.685
bonds (distance) P-C4' energy: -47.857
flat angles C4'-P-C4' energy: -47.717
flat angles P-C4'-P energy: -33.895
tors. eta vs tors. theta energy: -41.184
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: 6
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -665.620468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.620468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.620468 (E_RNA)
where:
Base-Base interactions energy: -444.936
where: short stacking energy: -203.987
Base-Backbone interact. energy: -2.200
local terms energy: -218.484593
where:
bonds (distance) C4'-P energy: -48.450
bonds (distance) P-C4' energy: -52.026
flat angles C4'-P-C4' energy: -45.752
flat angles P-C4'-P energy: -25.805
tors. eta vs tors. theta energy: -46.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -561.906591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.906591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.906591 (E_RNA)
where:
Base-Base interactions energy: -379.472
where: short stacking energy: -176.293
Base-Backbone interact. energy: -0.253
local terms energy: -182.181984
where:
bonds (distance) C4'-P energy: -47.695
bonds (distance) P-C4' energy: -33.237
flat angles C4'-P-C4' energy: -47.692
flat angles P-C4'-P energy: -19.247
tors. eta vs tors. theta energy: -34.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -299.809478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.809478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.809478 (E_RNA)
where:
Base-Base interactions energy: -132.884
where: short stacking energy: -79.421
Base-Backbone interact. energy: -0.789
local terms energy: -166.136120
where:
bonds (distance) C4'-P energy: -44.618
bonds (distance) P-C4' energy: -42.971
flat angles C4'-P-C4' energy: -45.427
flat angles P-C4'-P energy: -25.859
tors. eta vs tors. theta energy: -7.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -229.511306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.511306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.511306 (E_RNA)
where:
Base-Base interactions energy: -97.198
where: short stacking energy: -79.704
Base-Backbone interact. energy: 2.208
local terms energy: -134.521557
where:
bonds (distance) C4'-P energy: -42.952
bonds (distance) P-C4' energy: -42.346
flat angles C4'-P-C4' energy: -34.810
flat angles P-C4'-P energy: -20.908
tors. eta vs tors. theta energy: 6.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -890.549916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.549916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.549916 (E_RNA)
where:
Base-Base interactions energy: -609.120
where: short stacking energy: -270.529
Base-Backbone interact. energy: -0.925
local terms energy: -280.504891
where:
bonds (distance) C4'-P energy: -46.980
bonds (distance) P-C4' energy: -59.756
flat angles C4'-P-C4' energy: -62.084
flat angles P-C4'-P energy: -44.333
tors. eta vs tors. theta energy: -67.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -880.199303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.199303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.199303 (E_RNA)
where:
Base-Base interactions energy: -625.731
where: short stacking energy: -270.285
Base-Backbone interact. energy: -0.291
local terms energy: -254.177017
where:
bonds (distance) C4'-P energy: -40.221
bonds (distance) P-C4' energy: -48.380
flat angles C4'-P-C4' energy: -49.876
flat angles P-C4'-P energy: -42.742
tors. eta vs tors. theta energy: -72.959
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: 3, replica: 1
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -846.390622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.390622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.390622 (E_RNA)
where:
Base-Base interactions energy: -582.382
where: short stacking energy: -264.679
Base-Backbone interact. energy: 0.385
local terms energy: -264.393660
where:
bonds (distance) C4'-P energy: -52.664
bonds (distance) P-C4' energy: -50.955
flat angles C4'-P-C4' energy: -50.155
flat angles P-C4'-P energy: -42.555
tors. eta vs tors. theta energy: -68.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -853.482278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.482278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.482278 (E_RNA)
where:
Base-Base interactions energy: -595.585
where: short stacking energy: -251.420
Base-Backbone interact. energy: -1.330
local terms energy: -256.567062
where:
bonds (distance) C4'-P energy: -44.204
bonds (distance) P-C4' energy: -44.910
flat angles C4'-P-C4' energy: -56.008
flat angles P-C4'-P energy: -42.486
tors. eta vs tors. theta energy: -68.959
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: 369
Temperature: 1.100000
Total energy: -807.834246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.834246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.834246 (E_RNA)
where:
Base-Base interactions energy: -550.729
where: short stacking energy: -222.873
Base-Backbone interact. energy: -0.173
local terms energy: -256.932391
where:
bonds (distance) C4'-P energy: -51.051
bonds (distance) P-C4' energy: -46.313
flat angles C4'-P-C4' energy: -56.528
flat angles P-C4'-P energy: -44.679
tors. eta vs tors. theta energy: -58.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -678.734832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.734832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.734832 (E_RNA)
where:
Base-Base interactions energy: -469.841
where: short stacking energy: -203.706
Base-Backbone interact. energy: 0.512
local terms energy: -209.405468
where:
bonds (distance) C4'-P energy: -47.126
bonds (distance) P-C4' energy: -44.381
flat angles C4'-P-C4' energy: -40.689
flat angles P-C4'-P energy: -27.153
tors. eta vs tors. theta energy: -50.056
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: 7
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -654.717290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.717290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.717290 (E_RNA)
where:
Base-Base interactions energy: -441.993
where: short stacking energy: -197.298
Base-Backbone interact. energy: 1.996
local terms energy: -214.720336
where:
bonds (distance) C4'-P energy: -44.100
bonds (distance) P-C4' energy: -51.928
flat angles C4'-P-C4' energy: -45.850
flat angles P-C4'-P energy: -29.873
tors. eta vs tors. theta energy: -42.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -543.583100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.583100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.583100 (E_RNA)
where:
Base-Base interactions energy: -340.938
where: short stacking energy: -144.212
Base-Backbone interact. energy: -1.345
local terms energy: -201.300720
where:
bonds (distance) C4'-P energy: -45.877
bonds (distance) P-C4' energy: -50.993
flat angles C4'-P-C4' energy: -48.385
flat angles P-C4'-P energy: -33.712
tors. eta vs tors. theta energy: -22.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -310.148682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.148682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.148682 (E_RNA)
where:
Base-Base interactions energy: -148.978
where: short stacking energy: -99.032
Base-Backbone interact. energy: -0.842
local terms energy: -160.329325
where:
bonds (distance) C4'-P energy: -39.818
bonds (distance) P-C4' energy: -43.999
flat angles C4'-P-C4' energy: -39.259
flat angles P-C4'-P energy: -21.949
tors. eta vs tors. theta energy: -15.305
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: 10, replica: 10
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -240.931367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.931367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.931367 (E_RNA)
where:
Base-Base interactions energy: -83.455
where: short stacking energy: -75.734
Base-Backbone interact. energy: 1.406
local terms energy: -158.882684
where:
bonds (distance) C4'-P energy: -40.086
bonds (distance) P-C4' energy: -55.260
flat angles C4'-P-C4' energy: -37.783
flat angles P-C4'-P energy: -17.837
tors. eta vs tors. theta energy: -7.917
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: 5
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -883.253221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.253221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.253221 (E_RNA)
where:
Base-Base interactions energy: -608.486
where: short stacking energy: -271.795
Base-Backbone interact. energy: -1.494
local terms energy: -273.273447
where:
bonds (distance) C4'-P energy: -52.495
bonds (distance) P-C4' energy: -55.322
flat angles C4'-P-C4' energy: -59.518
flat angles P-C4'-P energy: -36.346
tors. eta vs tors. theta energy: -69.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -871.863425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.863425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.863425 (E_RNA)
where:
Base-Base interactions energy: -596.078
where: short stacking energy: -244.606
Base-Backbone interact. energy: -2.684
local terms energy: -273.100734
where:
bonds (distance) C4'-P energy: -45.993
bonds (distance) P-C4' energy: -52.041
flat angles C4'-P-C4' energy: -59.017
flat angles P-C4'-P energy: -44.128
tors. eta vs tors. theta energy: -71.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -835.680195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.680195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.680195 (E_RNA)
where:
Base-Base interactions energy: -571.542
where: short stacking energy: -240.658
Base-Backbone interact. energy: -0.419
local terms energy: -263.719107
where:
bonds (distance) C4'-P energy: -45.670
bonds (distance) P-C4' energy: -54.530
flat angles C4'-P-C4' energy: -57.305
flat angles P-C4'-P energy: -37.267
tors. eta vs tors. theta energy: -68.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -870.664159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.664159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.664159 (E_RNA)
where:
Base-Base interactions energy: -601.674
where: short stacking energy: -252.249
Base-Backbone interact. energy: -0.160
local terms energy: -268.830364
where:
bonds (distance) C4'-P energy: -40.806
bonds (distance) P-C4' energy: -53.627
flat angles C4'-P-C4' energy: -58.883
flat angles P-C4'-P energy: -47.316
tors. eta vs tors. theta energy: -68.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -786.235047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.235047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.235047 (E_RNA)
where:
Base-Base interactions energy: -534.578
where: short stacking energy: -224.645
Base-Backbone interact. energy: -0.967
local terms energy: -250.689544
where:
bonds (distance) C4'-P energy: -45.078
bonds (distance) P-C4' energy: -56.833
flat angles C4'-P-C4' energy: -57.555
flat angles P-C4'-P energy: -32.573
tors. eta vs tors. theta energy: -58.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -684.054058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.054058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.054058 (E_RNA)
where:
Base-Base interactions energy: -454.553
where: short stacking energy: -199.254
Base-Backbone interact. energy: 0.765
local terms energy: -230.266299
where:
bonds (distance) C4'-P energy: -46.725
bonds (distance) P-C4' energy: -51.984
flat angles C4'-P-C4' energy: -53.354
flat angles P-C4'-P energy: -30.672
tors. eta vs tors. theta energy: -47.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -648.515731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.515731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.515731 (E_RNA)
where:
Base-Base interactions energy: -432.648
where: short stacking energy: -188.163
Base-Backbone interact. energy: 1.144
local terms energy: -217.011354
where:
bonds (distance) C4'-P energy: -50.733
bonds (distance) P-C4' energy: -45.917
flat angles C4'-P-C4' energy: -53.620
flat angles P-C4'-P energy: -29.562
tors. eta vs tors. theta energy: -37.179
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: 8
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -600.262748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.262748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.262748 (E_RNA)
where:
Base-Base interactions energy: -388.000
where: short stacking energy: -175.374
Base-Backbone interact. energy: 0.635
local terms energy: -212.897360
where:
bonds (distance) C4'-P energy: -43.508
bonds (distance) P-C4' energy: -48.918
flat angles C4'-P-C4' energy: -49.480
flat angles P-C4'-P energy: -30.541
tors. eta vs tors. theta energy: -40.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -295.318501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.318501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.318501 (E_RNA)
where:
Base-Base interactions energy: -138.938
where: short stacking energy: -90.631
Base-Backbone interact. energy: 1.347
local terms energy: -157.727214
where:
bonds (distance) C4'-P energy: -43.733
bonds (distance) P-C4' energy: -43.516
flat angles C4'-P-C4' energy: -40.725
flat angles P-C4'-P energy: -32.272
tors. eta vs tors. theta energy: 2.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -233.472994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.472994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.472994 (E_RNA)
where:
Base-Base interactions energy: -78.329
where: short stacking energy: -58.422
Base-Backbone interact. energy: 0.179
local terms energy: -155.323174
where:
bonds (distance) C4'-P energy: -39.403
bonds (distance) P-C4' energy: -50.721
flat angles C4'-P-C4' energy: -38.881
flat angles P-C4'-P energy: -27.471
tors. eta vs tors. theta energy: 1.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -896.013929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.013929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.013929 (E_RNA)
where:
Base-Base interactions energy: -615.588
where: short stacking energy: -268.381
Base-Backbone interact. energy: -1.476
local terms energy: -278.950467
where:
bonds (distance) C4'-P energy: -48.751
bonds (distance) P-C4' energy: -56.562
flat angles C4'-P-C4' energy: -61.429
flat angles P-C4'-P energy: -36.713
tors. eta vs tors. theta energy: -75.495
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: 2
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -875.677178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.677178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.677178 (E_RNA)
where:
Base-Base interactions energy: -598.410
where: short stacking energy: -266.187
Base-Backbone interact. energy: 1.190
local terms energy: -278.456947
where:
bonds (distance) C4'-P energy: -53.404
bonds (distance) P-C4' energy: -49.642
flat angles C4'-P-C4' energy: -63.354
flat angles P-C4'-P energy: -40.666
tors. eta vs tors. theta energy: -71.391
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: 3
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -868.203300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.203300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.203300 (E_RNA)
where:
Base-Base interactions energy: -597.880
where: short stacking energy: -256.639
Base-Backbone interact. energy: 1.560
local terms energy: -271.882826
where:
bonds (distance) C4'-P energy: -58.661
bonds (distance) P-C4' energy: -50.818
flat angles C4'-P-C4' energy: -58.651
flat angles P-C4'-P energy: -40.095
tors. eta vs tors. theta energy: -63.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -838.702539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.702539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.702539 (E_RNA)
where:
Base-Base interactions energy: -571.689
where: short stacking energy: -251.812
Base-Backbone interact. energy: -0.447
local terms energy: -266.566160
where:
bonds (distance) C4'-P energy: -52.198
bonds (distance) P-C4' energy: -49.445
flat angles C4'-P-C4' energy: -58.282
flat angles P-C4'-P energy: -38.852
tors. eta vs tors. theta energy: -67.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -797.475325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.475325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.475325 (E_RNA)
where:
Base-Base interactions energy: -569.773
where: short stacking energy: -229.028
Base-Backbone interact. energy: -1.889
local terms energy: -225.813736
where:
bonds (distance) C4'-P energy: -39.043
bonds (distance) P-C4' energy: -50.549
flat angles C4'-P-C4' energy: -44.564
flat angles P-C4'-P energy: -29.307
tors. eta vs tors. theta energy: -62.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -690.074881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.074881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.074881 (E_RNA)
where:
Base-Base interactions energy: -460.026
where: short stacking energy: -205.325
Base-Backbone interact. energy: -0.327
local terms energy: -229.721962
where:
bonds (distance) C4'-P energy: -45.654
bonds (distance) P-C4' energy: -44.846
flat angles C4'-P-C4' energy: -53.044
flat angles P-C4'-P energy: -39.001
tors. eta vs tors. theta energy: -47.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -639.524788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.524788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.524788 (E_RNA)
where:
Base-Base interactions energy: -440.023
where: short stacking energy: -187.995
Base-Backbone interact. energy: -2.031
local terms energy: -197.470866
where:
bonds (distance) C4'-P energy: -40.099
bonds (distance) P-C4' energy: -42.136
flat angles C4'-P-C4' energy: -45.949
flat angles P-C4'-P energy: -32.454
tors. eta vs tors. theta energy: -36.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -603.913105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.913105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.913105 (E_RNA)
where:
Base-Base interactions energy: -395.257
where: short stacking energy: -160.221
Base-Backbone interact. energy: 0.007
local terms energy: -208.662698
where:
bonds (distance) C4'-P energy: -46.533
bonds (distance) P-C4' energy: -50.908
flat angles C4'-P-C4' energy: -46.735
flat angles P-C4'-P energy: -29.084
tors. eta vs tors. theta energy: -35.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -314.388933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.388933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.388933 (E_RNA)
where:
Base-Base interactions energy: -157.169
where: short stacking energy: -92.147
Base-Backbone interact. energy: -0.582
local terms energy: -156.637950
where:
bonds (distance) C4'-P energy: -35.547
bonds (distance) P-C4' energy: -51.917
flat angles C4'-P-C4' energy: -43.927
flat angles P-C4'-P energy: -24.687
tors. eta vs tors. theta energy: -0.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -217.810434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.810434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.810434 (E_RNA)
where:
Base-Base interactions energy: -76.489
where: short stacking energy: -51.884
Base-Backbone interact. energy: 0.214
local terms energy: -141.535367
where:
bonds (distance) C4'-P energy: -43.860
bonds (distance) P-C4' energy: -39.025
flat angles C4'-P-C4' energy: -39.275
flat angles P-C4'-P energy: -28.752
tors. eta vs tors. theta energy: 9.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -913.360419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.360419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.360419 (E_RNA)
where:
Base-Base interactions energy: -626.849
where: short stacking energy: -276.336
Base-Backbone interact. energy: -2.050
local terms energy: -284.461756
where:
bonds (distance) C4'-P energy: -54.703
bonds (distance) P-C4' energy: -49.106
flat angles C4'-P-C4' energy: -62.306
flat angles P-C4'-P energy: -41.068
tors. eta vs tors. theta energy: -77.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -899.587773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.587773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.587773 (E_RNA)
where:
Base-Base interactions energy: -613.019
where: short stacking energy: -270.641
Base-Backbone interact. energy: -0.111
local terms energy: -286.457054
where:
bonds (distance) C4'-P energy: -60.790
bonds (distance) P-C4' energy: -51.902
flat angles C4'-P-C4' energy: -60.432
flat angles P-C4'-P energy: -36.142
tors. eta vs tors. theta energy: -77.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -852.528710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.528710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.528710 (E_RNA)
where:
Base-Base interactions energy: -586.248
where: short stacking energy: -244.160
Base-Backbone interact. energy: -0.592
local terms energy: -265.688077
where:
bonds (distance) C4'-P energy: -48.343
bonds (distance) P-C4' energy: -45.396
flat angles C4'-P-C4' energy: -60.754
flat angles P-C4'-P energy: -36.738
tors. eta vs tors. theta energy: -74.457
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: 1
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -823.979443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.979443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.979443 (E_RNA)
where:
Base-Base interactions energy: -560.703
where: short stacking energy: -250.090
Base-Backbone interact. energy: -1.138
local terms energy: -262.138508
where:
bonds (distance) C4'-P energy: -40.758
bonds (distance) P-C4' energy: -57.416
flat angles C4'-P-C4' energy: -57.517
flat angles P-C4'-P energy: -37.031
tors. eta vs tors. theta energy: -69.416
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: 7
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -693.609854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.609854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.609854 (E_RNA)
where:
Base-Base interactions energy: -469.948
where: short stacking energy: -192.703
Base-Backbone interact. energy: -0.861
local terms energy: -222.800641
where:
bonds (distance) C4'-P energy: -43.141
bonds (distance) P-C4' energy: -49.550
flat angles C4'-P-C4' energy: -55.489
flat angles P-C4'-P energy: -21.858
tors. eta vs tors. theta energy: -52.762
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: 4
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -746.260165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.260165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.260165 (E_RNA)
where:
Base-Base interactions energy: -508.648
where: short stacking energy: -204.028
Base-Backbone interact. energy: -0.730
local terms energy: -236.882606
where:
bonds (distance) C4'-P energy: -50.469
bonds (distance) P-C4' energy: -43.603
flat angles C4'-P-C4' energy: -52.756
flat angles P-C4'-P energy: -37.274
tors. eta vs tors. theta energy: -52.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -662.043179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.043179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.043179 (E_RNA)
where:
Base-Base interactions energy: -440.418
where: short stacking energy: -198.607
Base-Backbone interact. energy: -2.282
local terms energy: -219.343003
where:
bonds (distance) C4'-P energy: -48.721
bonds (distance) P-C4' energy: -52.001
flat angles C4'-P-C4' energy: -43.205
flat angles P-C4'-P energy: -33.076
tors. eta vs tors. theta energy: -42.341
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: 8
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -582.062435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.062435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.062435 (E_RNA)
where:
Base-Base interactions energy: -377.929
where: short stacking energy: -168.721
Base-Backbone interact. energy: -1.877
local terms energy: -202.256465
where:
bonds (distance) C4'-P energy: -39.964
bonds (distance) P-C4' energy: -50.971
flat angles C4'-P-C4' energy: -47.303
flat angles P-C4'-P energy: -26.576
tors. eta vs tors. theta energy: -37.441
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: 9
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -305.817553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.817553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.817553 (E_RNA)
where:
Base-Base interactions energy: -148.596
where: short stacking energy: -92.264
Base-Backbone interact. energy: 2.615
local terms energy: -159.836770
where:
bonds (distance) C4'-P energy: -46.774
bonds (distance) P-C4' energy: -48.759
flat angles C4'-P-C4' energy: -30.412
flat angles P-C4'-P energy: -26.548
tors. eta vs tors. theta energy: -7.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -226.843302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.843302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.843302 (E_RNA)
where:
Base-Base interactions energy: -77.539
where: short stacking energy: -75.593
Base-Backbone interact. energy: -0.022
local terms energy: -149.282036
where:
bonds (distance) C4'-P energy: -33.039
bonds (distance) P-C4' energy: -47.676
flat angles C4'-P-C4' energy: -39.698
flat angles P-C4'-P energy: -28.343
tors. eta vs tors. theta energy: -0.527
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: 5
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -915.036482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.036482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.036482 (E_RNA)
where:
Base-Base interactions energy: -620.061
where: short stacking energy: -261.979
Base-Backbone interact. energy: -1.688
local terms energy: -293.288182
where:
bonds (distance) C4'-P energy: -48.598
bonds (distance) P-C4' energy: -59.543
flat angles C4'-P-C4' energy: -62.258
flat angles P-C4'-P energy: -49.505
tors. eta vs tors. theta energy: -73.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -868.107668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.107668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.107668 (E_RNA)
where:
Base-Base interactions energy: -592.476
where: short stacking energy: -259.116
Base-Backbone interact. energy: -0.649
local terms energy: -274.982229
where:
bonds (distance) C4'-P energy: -55.219
bonds (distance) P-C4' energy: -50.422
flat angles C4'-P-C4' energy: -55.594
flat angles P-C4'-P energy: -40.765
tors. eta vs tors. theta energy: -72.982
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: 3
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -863.159169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.159169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.159169 (E_RNA)
where:
Base-Base interactions energy: -580.795
where: short stacking energy: -250.264
Base-Backbone interact. energy: -0.690
local terms energy: -281.674747
where:
bonds (distance) C4'-P energy: -57.043
bonds (distance) P-C4' energy: -53.169
flat angles C4'-P-C4' energy: -50.549
flat angles P-C4'-P energy: -42.221
tors. eta vs tors. theta energy: -78.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -850.729755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.729755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.729755 (E_RNA)
where:
Base-Base interactions energy: -591.336
where: short stacking energy: -254.033
Base-Backbone interact. energy: -0.024
local terms energy: -259.369530
where:
bonds (distance) C4'-P energy: -35.205
bonds (distance) P-C4' energy: -55.034
flat angles C4'-P-C4' energy: -61.233
flat angles P-C4'-P energy: -32.329
tors. eta vs tors. theta energy: -75.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -705.269741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.269741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.269741 (E_RNA)
where:
Base-Base interactions energy: -477.971
where: short stacking energy: -200.832
Base-Backbone interact. energy: -1.011
local terms energy: -226.287692
where:
bonds (distance) C4'-P energy: -45.096
bonds (distance) P-C4' energy: -43.820
flat angles C4'-P-C4' energy: -51.432
flat angles P-C4'-P energy: -36.560
tors. eta vs tors. theta energy: -49.380
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: 6, replica: 4
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -735.995435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.995435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.995435 (E_RNA)
where:
Base-Base interactions energy: -494.537
where: short stacking energy: -219.120
Base-Backbone interact. energy: -0.713
local terms energy: -240.744760
where:
bonds (distance) C4'-P energy: -46.328
bonds (distance) P-C4' energy: -47.470
flat angles C4'-P-C4' energy: -46.234
flat angles P-C4'-P energy: -38.207
tors. eta vs tors. theta energy: -62.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -666.276009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.276009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.276009 (E_RNA)
where:
Base-Base interactions energy: -442.110
where: short stacking energy: -184.796
Base-Backbone interact. energy: -1.911
local terms energy: -222.254287
where:
bonds (distance) C4'-P energy: -49.438
bonds (distance) P-C4' energy: -42.849
flat angles C4'-P-C4' energy: -53.954
flat angles P-C4'-P energy: -33.051
tors. eta vs tors. theta energy: -42.962
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: 8, replica: 8
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -573.230543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.230543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.230543 (E_RNA)
where:
Base-Base interactions energy: -373.755
where: short stacking energy: -163.883
Base-Backbone interact. energy: 1.337
local terms energy: -200.812385
where:
bonds (distance) C4'-P energy: -36.938
bonds (distance) P-C4' energy: -51.875
flat angles C4'-P-C4' energy: -48.438
flat angles P-C4'-P energy: -26.513
tors. eta vs tors. theta energy: -37.048
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: 9, replica: 9
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -304.615810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.615810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.615810 (E_RNA)
where:
Base-Base interactions energy: -162.224
where: short stacking energy: -74.229
Base-Backbone interact. energy: 1.543
local terms energy: -143.935238
where:
bonds (distance) C4'-P energy: -47.554
bonds (distance) P-C4' energy: -46.734
flat angles C4'-P-C4' energy: -29.141
flat angles P-C4'-P energy: -24.319
tors. eta vs tors. theta energy: 3.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -215.589443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.589443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.589443 (E_RNA)
where:
Base-Base interactions energy: -75.938
where: short stacking energy: -68.560
Base-Backbone interact. energy: 1.030
local terms energy: -140.681762
where:
bonds (distance) C4'-P energy: -42.271
bonds (distance) P-C4' energy: -38.662
flat angles C4'-P-C4' energy: -48.640
flat angles P-C4'-P energy: -24.374
tors. eta vs tors. theta energy: 13.266
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: 5
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -920.992611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.992611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.992611 (E_RNA)
where:
Base-Base interactions energy: -638.718
where: short stacking energy: -269.877
Base-Backbone interact. energy: 0.934
local terms energy: -283.208686
where:
bonds (distance) C4'-P energy: -45.314
bonds (distance) P-C4' energy: -60.068
flat angles C4'-P-C4' energy: -62.661
flat angles P-C4'-P energy: -39.445
tors. eta vs tors. theta energy: -75.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -896.767477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.767477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.767477 (E_RNA)
where:
Base-Base interactions energy: -601.019
where: short stacking energy: -267.978
Base-Backbone interact. energy: -0.391
local terms energy: -295.358252
where:
bonds (distance) C4'-P energy: -51.150
bonds (distance) P-C4' energy: -59.903
flat angles C4'-P-C4' energy: -65.688
flat angles P-C4'-P energy: -39.412
tors. eta vs tors. theta energy: -79.205
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: 3
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -859.463651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.463651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.463651 (E_RNA)
where:
Base-Base interactions energy: -596.941
where: short stacking energy: -266.130
Base-Backbone interact. energy: 1.239
local terms energy: -263.761480
where:
bonds (distance) C4'-P energy: -49.258
bonds (distance) P-C4' energy: -52.843
flat angles C4'-P-C4' energy: -51.939
flat angles P-C4'-P energy: -33.028
tors. eta vs tors. theta energy: -76.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -810.478047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.478047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.478047 (E_RNA)
where:
Base-Base interactions energy: -542.823
where: short stacking energy: -225.535
Base-Backbone interact. energy: -0.698
local terms energy: -266.957254
where:
bonds (distance) C4'-P energy: -47.024
bonds (distance) P-C4' energy: -50.324
flat angles C4'-P-C4' energy: -61.104
flat angles P-C4'-P energy: -42.034
tors. eta vs tors. theta energy: -66.470
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: 7
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -708.369355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.369355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.369355 (E_RNA)
where:
Base-Base interactions energy: -464.204
where: short stacking energy: -204.281
Base-Backbone interact. energy: -1.781
local terms energy: -242.383802
where:
bonds (distance) C4'-P energy: -49.837
bonds (distance) P-C4' energy: -51.864
flat angles C4'-P-C4' energy: -58.156
flat angles P-C4'-P energy: -36.189
tors. eta vs tors. theta energy: -46.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -730.308687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.308687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.308687 (E_RNA)
where:
Base-Base interactions energy: -491.995
where: short stacking energy: -227.239
Base-Backbone interact. energy: -2.406
local terms energy: -235.907704
where:
bonds (distance) C4'-P energy: -38.333
bonds (distance) P-C4' energy: -56.114
flat angles C4'-P-C4' energy: -55.474
flat angles P-C4'-P energy: -32.103
tors. eta vs tors. theta energy: -53.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -706.216429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.216429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.216429 (E_RNA)
where:
Base-Base interactions energy: -472.594
where: short stacking energy: -205.149
Base-Backbone interact. energy: -2.203
local terms energy: -231.419952
where:
bonds (distance) C4'-P energy: -44.797
bonds (distance) P-C4' energy: -42.826
flat angles C4'-P-C4' energy: -54.694
flat angles P-C4'-P energy: -35.032
tors. eta vs tors. theta energy: -54.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -568.675478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.675478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.675478 (E_RNA)
where:
Base-Base interactions energy: -362.853
where: short stacking energy: -167.347
Base-Backbone interact. energy: -1.378
local terms energy: -204.444211
where:
bonds (distance) C4'-P energy: -45.844
bonds (distance) P-C4' energy: -52.560
flat angles C4'-P-C4' energy: -48.197
flat angles P-C4'-P energy: -24.411
tors. eta vs tors. theta energy: -33.433
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: 9
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -303.180645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.180645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.180645 (E_RNA)
where:
Base-Base interactions energy: -149.666
where: short stacking energy: -77.753
Base-Backbone interact. energy: 0.012
local terms energy: -153.527405
where:
bonds (distance) C4'-P energy: -48.896
bonds (distance) P-C4' energy: -45.700
flat angles C4'-P-C4' energy: -27.081
flat angles P-C4'-P energy: -28.549
tors. eta vs tors. theta energy: -3.302
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: 10, replica: 10
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -219.490584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.490584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.490584 (E_RNA)
where:
Base-Base interactions energy: -75.017
where: short stacking energy: -63.581
Base-Backbone interact. energy: -0.263
local terms energy: -144.209907
where:
bonds (distance) C4'-P energy: -39.936
bonds (distance) P-C4' energy: -45.259
flat angles C4'-P-C4' energy: -47.055
flat angles P-C4'-P energy: -17.759
tors. eta vs tors. theta energy: 5.800
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: 5
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -922.757026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.757026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.757026 (E_RNA)
where:
Base-Base interactions energy: -635.190
where: short stacking energy: -273.061
Base-Backbone interact. energy: -0.302
local terms energy: -287.264413
where:
bonds (distance) C4'-P energy: -53.286
bonds (distance) P-C4' energy: -58.451
flat angles C4'-P-C4' energy: -57.914
flat angles P-C4'-P energy: -44.437
tors. eta vs tors. theta energy: -73.176
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: 2
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -891.440224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.440224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.440224 (E_RNA)
where:
Base-Base interactions energy: -617.640
where: short stacking energy: -272.911
Base-Backbone interact. energy: 0.672
local terms energy: -274.472509
where:
bonds (distance) C4'-P energy: -44.514
bonds (distance) P-C4' energy: -49.245
flat angles C4'-P-C4' energy: -61.898
flat angles P-C4'-P energy: -41.247
tors. eta vs tors. theta energy: -77.568
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: 3
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -844.566346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.566346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.566346 (E_RNA)
where:
Base-Base interactions energy: -575.643
where: short stacking energy: -232.726
Base-Backbone interact. energy: 0.200
local terms energy: -269.123105
where:
bonds (distance) C4'-P energy: -47.670
bonds (distance) P-C4' energy: -50.056
flat angles C4'-P-C4' energy: -64.830
flat angles P-C4'-P energy: -42.000
tors. eta vs tors. theta energy: -64.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -826.241916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.241916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.241916 (E_RNA)
where:
Base-Base interactions energy: -561.382
where: short stacking energy: -251.694
Base-Backbone interact. energy: -2.727
local terms energy: -262.132635
where:
bonds (distance) C4'-P energy: -53.415
bonds (distance) P-C4' energy: -53.636
flat angles C4'-P-C4' energy: -56.680
flat angles P-C4'-P energy: -31.715
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: 5, replica: 7
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -688.741263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.741263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.741263 (E_RNA)
where:
Base-Base interactions energy: -466.711
where: short stacking energy: -208.398
Base-Backbone interact. energy: -0.944
local terms energy: -221.087045
where:
bonds (distance) C4'-P energy: -31.048
bonds (distance) P-C4' energy: -55.670
flat angles C4'-P-C4' energy: -52.120
flat angles P-C4'-P energy: -36.082
tors. eta vs tors. theta energy: -46.167
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: 375
Temperature: 1.150000
Total energy: -666.584801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.584801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.584801 (E_RNA)
where:
Base-Base interactions energy: -433.310
where: short stacking energy: -184.228
Base-Backbone interact. energy: -1.246
local terms energy: -232.028757
where:
bonds (distance) C4'-P energy: -50.313
bonds (distance) P-C4' energy: -48.519
flat angles C4'-P-C4' energy: -59.353
flat angles P-C4'-P energy: -29.293
tors. eta vs tors. theta energy: -44.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -677.023095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.023095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.023095 (E_RNA)
where:
Base-Base interactions energy: -454.644
where: short stacking energy: -203.103
Base-Backbone interact. energy: -1.116
local terms energy: -221.262415
where:
bonds (distance) C4'-P energy: -54.586
bonds (distance) P-C4' energy: -43.459
flat angles C4'-P-C4' energy: -46.217
flat angles P-C4'-P energy: -34.279
tors. eta vs tors. theta energy: -42.721
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: 8
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -575.943905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.943905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.943905 (E_RNA)
where:
Base-Base interactions energy: -366.947
where: short stacking energy: -151.031
Base-Backbone interact. energy: 1.042
local terms energy: -210.038628
where:
bonds (distance) C4'-P energy: -48.864
bonds (distance) P-C4' energy: -50.750
flat angles C4'-P-C4' energy: -47.210
flat angles P-C4'-P energy: -30.578
tors. eta vs tors. theta energy: -32.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -307.997233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.997233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.997233 (E_RNA)
where:
Base-Base interactions energy: -157.275
where: short stacking energy: -86.398
Base-Backbone interact. energy: 0.150
local terms energy: -150.872865
where:
bonds (distance) C4'-P energy: -42.800
bonds (distance) P-C4' energy: -51.405
flat angles C4'-P-C4' energy: -48.338
flat angles P-C4'-P energy: -14.744
tors. eta vs tors. theta energy: 6.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -221.917943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.917943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.917943 (E_RNA)
where:
Base-Base interactions energy: -75.645
where: short stacking energy: -56.260
Base-Backbone interact. energy: 1.910
local terms energy: -148.183110
where:
bonds (distance) C4'-P energy: -47.579
bonds (distance) P-C4' energy: -49.172
flat angles C4'-P-C4' energy: -36.160
flat angles P-C4'-P energy: -26.518
tors. eta vs tors. theta energy: 11.246
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: 2
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -895.510191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.510191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.510191 (E_RNA)
where:
Base-Base interactions energy: -607.114
where: short stacking energy: -275.189
Base-Backbone interact. energy: -0.568
local terms energy: -287.828609
where:
bonds (distance) C4'-P energy: -58.364
bonds (distance) P-C4' energy: -61.209
flat angles C4'-P-C4' energy: -57.377
flat angles P-C4'-P energy: -32.345
tors. eta vs tors. theta energy: -78.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -891.159646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.159646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.159646 (E_RNA)
where:
Base-Base interactions energy: -617.071
where: short stacking energy: -269.236
Base-Backbone interact. energy: -1.121
local terms energy: -272.967081
where:
bonds (distance) C4'-P energy: -55.873
bonds (distance) P-C4' energy: -51.356
flat angles C4'-P-C4' energy: -55.077
flat angles P-C4'-P energy: -41.902
tors. eta vs tors. theta energy: -68.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -815.694843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.694843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.694843 (E_RNA)
where:
Base-Base interactions energy: -558.214
where: short stacking energy: -236.496
Base-Backbone interact. energy: -0.901
local terms energy: -256.579858
where:
bonds (distance) C4'-P energy: -38.571
bonds (distance) P-C4' energy: -56.328
flat angles C4'-P-C4' energy: -54.527
flat angles P-C4'-P energy: -38.243
tors. eta vs tors. theta energy: -68.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -830.165873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.165873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.165873 (E_RNA)
where:
Base-Base interactions energy: -557.224
where: short stacking energy: -241.307
Base-Backbone interact. energy: -0.900
local terms energy: -272.042818
where:
bonds (distance) C4'-P energy: -50.185
bonds (distance) P-C4' energy: -51.195
flat angles C4'-P-C4' energy: -60.052
flat angles P-C4'-P energy: -36.539
tors. eta vs tors. theta energy: -74.072
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: 4
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -776.160375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.160375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.160375 (E_RNA)
where:
Base-Base interactions energy: -528.705
where: short stacking energy: -218.724
Base-Backbone interact. energy: -0.825
local terms energy: -246.630766
where:
bonds (distance) C4'-P energy: -53.385
bonds (distance) P-C4' energy: -50.621
flat angles C4'-P-C4' energy: -56.818
flat angles P-C4'-P energy: -26.541
tors. eta vs tors. theta energy: -59.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -684.892594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.892594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.892594 (E_RNA)
where:
Base-Base interactions energy: -465.423
where: short stacking energy: -221.520
Base-Backbone interact. energy: -0.721
local terms energy: -218.748382
where:
bonds (distance) C4'-P energy: -28.053
bonds (distance) P-C4' energy: -52.393
flat angles C4'-P-C4' energy: -47.847
flat angles P-C4'-P energy: -35.309
tors. eta vs tors. theta energy: -55.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -672.245935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.245935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.245935 (E_RNA)
where:
Base-Base interactions energy: -451.173
where: short stacking energy: -183.197
Base-Backbone interact. energy: -2.793
local terms energy: -218.279655
where:
bonds (distance) C4'-P energy: -50.467
bonds (distance) P-C4' energy: -47.785
flat angles C4'-P-C4' energy: -50.434
flat angles P-C4'-P energy: -26.489
tors. eta vs tors. theta energy: -43.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -582.626044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.626044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.626044 (E_RNA)
where:
Base-Base interactions energy: -381.485
where: short stacking energy: -171.859
Base-Backbone interact. energy: 1.553
local terms energy: -202.694468
where:
bonds (distance) C4'-P energy: -49.502
bonds (distance) P-C4' energy: -40.355
flat angles C4'-P-C4' energy: -42.739
flat angles P-C4'-P energy: -30.827
tors. eta vs tors. theta energy: -39.272
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: 9
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -310.491545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.491545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.491545 (E_RNA)
where:
Base-Base interactions energy: -146.137
where: short stacking energy: -91.696
Base-Backbone interact. energy: -1.068
local terms energy: -163.285806
where:
bonds (distance) C4'-P energy: -41.497
bonds (distance) P-C4' energy: -45.380
flat angles C4'-P-C4' energy: -40.411
flat angles P-C4'-P energy: -31.145
tors. eta vs tors. theta energy: -4.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -251.703737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.703737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.703737 (E_RNA)
where:
Base-Base interactions energy: -112.610
where: short stacking energy: -92.609
Base-Backbone interact. energy: -0.591
local terms energy: -138.502219
where:
bonds (distance) C4'-P energy: -48.017
bonds (distance) P-C4' energy: -30.433
flat angles C4'-P-C4' energy: -42.416
flat angles P-C4'-P energy: -15.158
tors. eta vs tors. theta energy: -2.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -901.463301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.463301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.463301 (E_RNA)
where:
Base-Base interactions energy: -615.940
where: short stacking energy: -276.134
Base-Backbone interact. energy: 0.364
local terms energy: -285.887431
where:
bonds (distance) C4'-P energy: -50.927
bonds (distance) P-C4' energy: -53.267
flat angles C4'-P-C4' energy: -60.593
flat angles P-C4'-P energy: -40.835
tors. eta vs tors. theta energy: -80.265
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: 5
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -908.462118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.462118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.462118 (E_RNA)
where:
Base-Base interactions energy: -624.030
where: short stacking energy: -272.485
Base-Backbone interact. energy: -0.355
local terms energy: -284.077205
where:
bonds (distance) C4'-P energy: -46.211
bonds (distance) P-C4' energy: -60.250
flat angles C4'-P-C4' energy: -56.362
flat angles P-C4'-P energy: -50.527
tors. eta vs tors. theta energy: -70.726
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: 3, replica: 1
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -808.879555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.879555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.879555 (E_RNA)
where:
Base-Base interactions energy: -557.439
where: short stacking energy: -255.772
Base-Backbone interact. energy: -1.375
local terms energy: -250.065380
where:
bonds (distance) C4'-P energy: -45.954
bonds (distance) P-C4' energy: -46.222
flat angles C4'-P-C4' energy: -54.093
flat angles P-C4'-P energy: -38.975
tors. eta vs tors. theta energy: -64.822
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: 377
Temperature: 1.050000
Total energy: -832.099617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.099617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.099617 (E_RNA)
where:
Base-Base interactions energy: -570.947
where: short stacking energy: -259.317
Base-Backbone interact. energy: -2.237
local terms energy: -258.916266
where:
bonds (distance) C4'-P energy: -45.426
bonds (distance) P-C4' energy: -55.106
flat angles C4'-P-C4' energy: -54.756
flat angles P-C4'-P energy: -36.802
tors. eta vs tors. theta energy: -66.827
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: 4
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -770.027089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.027089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.027089 (E_RNA)
where:
Base-Base interactions energy: -531.922
where: short stacking energy: -221.342
Base-Backbone interact. energy: -2.540
local terms energy: -235.564625
where:
bonds (distance) C4'-P energy: -48.093
bonds (distance) P-C4' energy: -41.691
flat angles C4'-P-C4' energy: -51.504
flat angles P-C4'-P energy: -34.456
tors. eta vs tors. theta energy: -59.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -703.947132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.947132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.947132 (E_RNA)
where:
Base-Base interactions energy: -485.857
where: short stacking energy: -215.038
Base-Backbone interact. energy: -0.250
local terms energy: -217.839674
where:
bonds (distance) C4'-P energy: -32.727
bonds (distance) P-C4' energy: -45.012
flat angles C4'-P-C4' energy: -57.817
flat angles P-C4'-P energy: -29.948
tors. eta vs tors. theta energy: -52.336
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: 6
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -636.870665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.870665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.870665 (E_RNA)
where:
Base-Base interactions energy: -425.599
where: short stacking energy: -184.375
Base-Backbone interact. energy: -1.079
local terms energy: -210.192133
where:
bonds (distance) C4'-P energy: -35.772
bonds (distance) P-C4' energy: -52.564
flat angles C4'-P-C4' energy: -54.459
flat angles P-C4'-P energy: -29.318
tors. eta vs tors. theta energy: -38.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -558.338520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.338520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.338520 (E_RNA)
where:
Base-Base interactions energy: -352.206
where: short stacking energy: -161.796
Base-Backbone interact. energy: -0.897
local terms energy: -205.234874
where:
bonds (distance) C4'-P energy: -44.058
bonds (distance) P-C4' energy: -48.247
flat angles C4'-P-C4' energy: -41.858
flat angles P-C4'-P energy: -36.118
tors. eta vs tors. theta energy: -34.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -313.039268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.039268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.039268 (E_RNA)
where:
Base-Base interactions energy: -149.289
where: short stacking energy: -91.177
Base-Backbone interact. energy: 1.028
local terms energy: -164.777836
where:
bonds (distance) C4'-P energy: -33.493
bonds (distance) P-C4' energy: -50.085
flat angles C4'-P-C4' energy: -42.045
flat angles P-C4'-P energy: -26.541
tors. eta vs tors. theta energy: -12.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -296.322353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.322353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.322353 (E_RNA)
where:
Base-Base interactions energy: -129.738
where: short stacking energy: -75.330
Base-Backbone interact. energy: 0.588
local terms energy: -167.172254
where:
bonds (distance) C4'-P energy: -39.525
bonds (distance) P-C4' energy: -56.784
flat angles C4'-P-C4' energy: -45.713
flat angles P-C4'-P energy: -30.229
tors. eta vs tors. theta energy: 5.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -909.671087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.671087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.671087 (E_RNA)
where:
Base-Base interactions energy: -622.209
where: short stacking energy: -268.439
Base-Backbone interact. energy: -1.993
local terms energy: -285.468893
where:
bonds (distance) C4'-P energy: -54.895
bonds (distance) P-C4' energy: -50.002
flat angles C4'-P-C4' energy: -60.891
flat angles P-C4'-P energy: -45.484
tors. eta vs tors. theta energy: -74.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -887.177431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.177431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.177431 (E_RNA)
where:
Base-Base interactions energy: -614.032
where: short stacking energy: -259.232
Base-Backbone interact. energy: 1.843
local terms energy: -274.988503
where:
bonds (distance) C4'-P energy: -50.770
bonds (distance) P-C4' energy: -54.465
flat angles C4'-P-C4' energy: -52.971
flat angles P-C4'-P energy: -37.740
tors. eta vs tors. theta energy: -79.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -844.699955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.699955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.699955 (E_RNA)
where:
Base-Base interactions energy: -580.172
where: short stacking energy: -241.724
Base-Backbone interact. energy: -1.832
local terms energy: -262.696802
where:
bonds (distance) C4'-P energy: -52.870
bonds (distance) P-C4' energy: -55.161
flat angles C4'-P-C4' energy: -56.764
flat angles P-C4'-P energy: -27.949
tors. eta vs tors. theta energy: -69.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -760.666314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.666314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.666314 (E_RNA)
where:
Base-Base interactions energy: -511.362
where: short stacking energy: -211.714
Base-Backbone interact. energy: -0.775
local terms energy: -248.529169
where:
bonds (distance) C4'-P energy: -44.297
bonds (distance) P-C4' energy: -59.047
flat angles C4'-P-C4' energy: -58.564
flat angles P-C4'-P energy: -34.031
tors. eta vs tors. theta energy: -52.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -785.686651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.686651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.686651 (E_RNA)
where:
Base-Base interactions energy: -540.822
where: short stacking energy: -252.468
Base-Backbone interact. energy: -0.846
local terms energy: -244.019602
where:
bonds (distance) C4'-P energy: -38.436
bonds (distance) P-C4' energy: -43.720
flat angles C4'-P-C4' energy: -59.544
flat angles P-C4'-P energy: -31.976
tors. eta vs tors. theta energy: -70.343
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: 7
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -689.736771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.736771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.736771 (E_RNA)
where:
Base-Base interactions energy: -453.400
where: short stacking energy: -201.129
Base-Backbone interact. energy: 1.010
local terms energy: -237.346485
where:
bonds (distance) C4'-P energy: -47.367
bonds (distance) P-C4' energy: -52.730
flat angles C4'-P-C4' energy: -48.772
flat angles P-C4'-P energy: -34.927
tors. eta vs tors. theta energy: -53.552
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: 6
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -638.402373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.402373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.402373 (E_RNA)
where:
Base-Base interactions energy: -435.259
where: short stacking energy: -186.307
Base-Backbone interact. energy: -0.235
local terms energy: -202.908158
where:
bonds (distance) C4'-P energy: -38.143
bonds (distance) P-C4' energy: -41.770
flat angles C4'-P-C4' energy: -49.037
flat angles P-C4'-P energy: -29.978
tors. eta vs tors. theta energy: -43.980
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: 8, replica: 8
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -590.837625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.837625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.837625 (E_RNA)
where:
Base-Base interactions energy: -373.582
where: short stacking energy: -181.466
Base-Backbone interact. energy: -0.578
local terms energy: -216.677912
where:
bonds (distance) C4'-P energy: -42.323
bonds (distance) P-C4' energy: -47.796
flat angles C4'-P-C4' energy: -50.262
flat angles P-C4'-P energy: -38.281
tors. eta vs tors. theta energy: -38.016
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: 9, replica: 9
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -298.570535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.570535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.570535 (E_RNA)
where:
Base-Base interactions energy: -125.322
where: short stacking energy: -85.159
Base-Backbone interact. energy: 0.990
local terms energy: -174.238520
where:
bonds (distance) C4'-P energy: -55.751
bonds (distance) P-C4' energy: -38.803
flat angles C4'-P-C4' energy: -40.838
flat angles P-C4'-P energy: -28.206
tors. eta vs tors. theta energy: -10.641
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: 10
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -295.560721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.560721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.560721 (E_RNA)
where:
Base-Base interactions energy: -150.779
where: short stacking energy: -99.203
Base-Backbone interact. energy: 3.937
local terms energy: -148.719321
where:
bonds (distance) C4'-P energy: -34.895
bonds (distance) P-C4' energy: -42.303
flat angles C4'-P-C4' energy: -45.645
flat angles P-C4'-P energy: -12.766
tors. eta vs tors. theta energy: -13.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -916.053095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.053095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.053095 (E_RNA)
where:
Base-Base interactions energy: -641.759
where: short stacking energy: -269.702
Base-Backbone interact. energy: -2.060
local terms energy: -272.234213
where:
bonds (distance) C4'-P energy: -45.738
bonds (distance) P-C4' energy: -53.015
flat angles C4'-P-C4' energy: -56.887
flat angles P-C4'-P energy: -42.923
tors. eta vs tors. theta energy: -73.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -885.797403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.797403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.797403 (E_RNA)
where:
Base-Base interactions energy: -613.812
where: short stacking energy: -268.163
Base-Backbone interact. energy: -0.272
local terms energy: -271.713627
where:
bonds (distance) C4'-P energy: -38.656
bonds (distance) P-C4' energy: -48.131
flat angles C4'-P-C4' energy: -63.861
flat angles P-C4'-P energy: -38.430
tors. eta vs tors. theta energy: -82.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -835.047886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.047886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.047886 (E_RNA)
where:
Base-Base interactions energy: -566.918
where: short stacking energy: -241.658
Base-Backbone interact. energy: -0.946
local terms energy: -267.183992
where:
bonds (distance) C4'-P energy: -52.949
bonds (distance) P-C4' energy: -50.973
flat angles C4'-P-C4' energy: -55.414
flat angles P-C4'-P energy: -44.376
tors. eta vs tors. theta energy: -63.473
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: 4, replica: 4
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -829.271464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.271464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.271464 (E_RNA)
where:
Base-Base interactions energy: -563.168
where: short stacking energy: -237.205
Base-Backbone interact. energy: 2.097
local terms energy: -268.200929
where:
bonds (distance) C4'-P energy: -53.023
bonds (distance) P-C4' energy: -53.784
flat angles C4'-P-C4' energy: -56.894
flat angles P-C4'-P energy: -38.545
tors. eta vs tors. theta energy: -65.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -763.061329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.061329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.061329 (E_RNA)
where:
Base-Base interactions energy: -513.961
where: short stacking energy: -215.574
Base-Backbone interact. energy: -3.303
local terms energy: -245.797415
where:
bonds (distance) C4'-P energy: -50.053
bonds (distance) P-C4' energy: -47.754
flat angles C4'-P-C4' energy: -55.125
flat angles P-C4'-P energy: -34.053
tors. eta vs tors. theta energy: -58.813
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: 6, replica: 6
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -656.392960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.392960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.392960 (E_RNA)
where:
Base-Base interactions energy: -434.713
where: short stacking energy: -200.441
Base-Backbone interact. energy: -0.896
local terms energy: -220.784247
where:
bonds (distance) C4'-P energy: -43.138
bonds (distance) P-C4' energy: -49.280
flat angles C4'-P-C4' energy: -55.969
flat angles P-C4'-P energy: -26.025
tors. eta vs tors. theta energy: -46.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -651.331323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.331323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.331323 (E_RNA)
where:
Base-Base interactions energy: -432.860
where: short stacking energy: -187.256
Base-Backbone interact. energy: -1.332
local terms energy: -217.139820
where:
bonds (distance) C4'-P energy: -40.885
bonds (distance) P-C4' energy: -42.037
flat angles C4'-P-C4' energy: -59.213
flat angles P-C4'-P energy: -31.353
tors. eta vs tors. theta energy: -43.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -615.242657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.242657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.242657 (E_RNA)
where:
Base-Base interactions energy: -409.107
where: short stacking energy: -186.555
Base-Backbone interact. energy: -1.901
local terms energy: -204.235118
where:
bonds (distance) C4'-P energy: -45.762
bonds (distance) P-C4' energy: -34.667
flat angles C4'-P-C4' energy: -54.812
flat angles P-C4'-P energy: -24.657
tors. eta vs tors. theta energy: -44.337
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: 9
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -340.172199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.172199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.172199 (E_RNA)
where:
Base-Base interactions energy: -173.318
where: short stacking energy: -91.250
Base-Backbone interact. energy: 4.271
local terms energy: -171.124922
where:
bonds (distance) C4'-P energy: -49.307
bonds (distance) P-C4' energy: -49.893
flat angles C4'-P-C4' energy: -40.982
flat angles P-C4'-P energy: -26.813
tors. eta vs tors. theta energy: -4.131
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: 10
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -292.465734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.465734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.465734 (E_RNA)
where:
Base-Base interactions energy: -148.512
where: short stacking energy: -80.319
Base-Backbone interact. energy: 0.282
local terms energy: -144.235576
where:
bonds (distance) C4'-P energy: -48.097
bonds (distance) P-C4' energy: -43.033
flat angles C4'-P-C4' energy: -40.041
flat angles P-C4'-P energy: -14.465
tors. eta vs tors. theta energy: 1.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -903.595095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.595095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.595095 (E_RNA)
where:
Base-Base interactions energy: -622.030
where: short stacking energy: -267.741
Base-Backbone interact. energy: -1.390
local terms energy: -280.174923
where:
bonds (distance) C4'-P energy: -45.048
bonds (distance) P-C4' energy: -60.931
flat angles C4'-P-C4' energy: -57.986
flat angles P-C4'-P energy: -37.417
tors. eta vs tors. theta energy: -78.792
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: 5
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -908.881434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.881434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.881434 (E_RNA)
where:
Base-Base interactions energy: -626.894
where: short stacking energy: -272.760
Base-Backbone interact. energy: -1.455
local terms energy: -280.532491
where:
bonds (distance) C4'-P energy: -52.993
bonds (distance) P-C4' energy: -51.697
flat angles C4'-P-C4' energy: -60.465
flat angles P-C4'-P energy: -43.168
tors. eta vs tors. theta energy: -72.208
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: 3
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -853.203220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.203220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.203220 (E_RNA)
where:
Base-Base interactions energy: -586.963
where: short stacking energy: -261.265
Base-Backbone interact. energy: -1.894
local terms energy: -264.346134
where:
bonds (distance) C4'-P energy: -45.928
bonds (distance) P-C4' energy: -48.517
flat angles C4'-P-C4' energy: -57.207
flat angles P-C4'-P energy: -40.066
tors. eta vs tors. theta energy: -72.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -798.324469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.324469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.324469 (E_RNA)
where:
Base-Base interactions energy: -552.686
where: short stacking energy: -255.025
Base-Backbone interact. energy: -0.785
local terms energy: -244.854010
where:
bonds (distance) C4'-P energy: -42.047
bonds (distance) P-C4' energy: -53.534
flat angles C4'-P-C4' energy: -52.200
flat angles P-C4'-P energy: -30.231
tors. eta vs tors. theta energy: -66.842
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: 1
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -720.179243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.179243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.179243 (E_RNA)
where:
Base-Base interactions energy: -481.791
where: short stacking energy: -213.574
Base-Backbone interact. energy: -2.855
local terms energy: -235.533376
where:
bonds (distance) C4'-P energy: -47.005
bonds (distance) P-C4' energy: -53.534
flat angles C4'-P-C4' energy: -51.430
flat angles P-C4'-P energy: -28.718
tors. eta vs tors. theta energy: -54.846
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: 380
Temperature: 1.150000
Total energy: -655.072832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.072832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.072832 (E_RNA)
where:
Base-Base interactions energy: -438.080
where: short stacking energy: -183.860
Base-Backbone interact. energy: -0.726
local terms energy: -216.266311
where:
bonds (distance) C4'-P energy: -44.177
bonds (distance) P-C4' energy: -39.319
flat angles C4'-P-C4' energy: -47.141
flat angles P-C4'-P energy: -43.032
tors. eta vs tors. theta energy: -42.597
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: 7, replica: 7
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -651.785103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.785103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.785103 (E_RNA)
where:
Base-Base interactions energy: -446.012
where: short stacking energy: -174.844
Base-Backbone interact. energy: 0.917
local terms energy: -206.690478
where:
bonds (distance) C4'-P energy: -41.843
bonds (distance) P-C4' energy: -47.013
flat angles C4'-P-C4' energy: -54.263
flat angles P-C4'-P energy: -20.606
tors. eta vs tors. theta energy: -42.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -590.387060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.387060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.387060 (E_RNA)
where:
Base-Base interactions energy: -391.956
where: short stacking energy: -171.500
Base-Backbone interact. energy: -0.337
local terms energy: -198.094039
where:
bonds (distance) C4'-P energy: -47.726
bonds (distance) P-C4' energy: -48.111
flat angles C4'-P-C4' energy: -41.821
flat angles P-C4'-P energy: -24.270
tors. eta vs tors. theta energy: -36.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -294.061384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.061384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.061384 (E_RNA)
where:
Base-Base interactions energy: -131.795
where: short stacking energy: -74.698
Base-Backbone interact. energy: -0.623
local terms energy: -161.643510
where:
bonds (distance) C4'-P energy: -43.104
bonds (distance) P-C4' energy: -51.998
flat angles C4'-P-C4' energy: -36.562
flat angles P-C4'-P energy: -29.743
tors. eta vs tors. theta energy: -0.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -285.711789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.711789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.711789 (E_RNA)
where:
Base-Base interactions energy: -132.418
where: short stacking energy: -75.262
Base-Backbone interact. energy: 1.569
local terms energy: -154.862814
where:
bonds (distance) C4'-P energy: -46.615
bonds (distance) P-C4' energy: -48.147
flat angles C4'-P-C4' energy: -37.400
flat angles P-C4'-P energy: -25.087
tors. eta vs tors. theta energy: 2.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -926.856010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.856010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.856010 (E_RNA)
where:
Base-Base interactions energy: -636.605
where: short stacking energy: -277.187
Base-Backbone interact. energy: -1.781
local terms energy: -288.469752
where:
bonds (distance) C4'-P energy: -55.136
bonds (distance) P-C4' energy: -52.503
flat angles C4'-P-C4' energy: -59.795
flat angles P-C4'-P energy: -40.445
tors. eta vs tors. theta energy: -80.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -895.294907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.294907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.294907 (E_RNA)
where:
Base-Base interactions energy: -618.886
where: short stacking energy: -267.859
Base-Backbone interact. energy: 1.543
local terms energy: -277.951424
where:
bonds (distance) C4'-P energy: -54.084
bonds (distance) P-C4' energy: -53.984
flat angles C4'-P-C4' energy: -60.673
flat angles P-C4'-P energy: -35.138
tors. eta vs tors. theta energy: -74.072
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: 3, replica: 3
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -853.061101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.061101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.061101 (E_RNA)
where:
Base-Base interactions energy: -589.705
where: short stacking energy: -243.148
Base-Backbone interact. energy: 5.029
local terms energy: -268.384862
where:
bonds (distance) C4'-P energy: -56.032
bonds (distance) P-C4' energy: -46.589
flat angles C4'-P-C4' energy: -58.038
flat angles P-C4'-P energy: -38.102
tors. eta vs tors. theta energy: -69.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -778.934605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.934605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.934605 (E_RNA)
where:
Base-Base interactions energy: -532.751
where: short stacking energy: -236.722
Base-Backbone interact. energy: -1.013
local terms energy: -245.170875
where:
bonds (distance) C4'-P energy: -48.273
bonds (distance) P-C4' energy: -39.393
flat angles C4'-P-C4' energy: -58.441
flat angles P-C4'-P energy: -32.631
tors. eta vs tors. theta energy: -66.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -733.204223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.204223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.204223 (E_RNA)
where:
Base-Base interactions energy: -499.152
where: short stacking energy: -205.012
Base-Backbone interact. energy: -0.598
local terms energy: -233.454330
where:
bonds (distance) C4'-P energy: -43.581
bonds (distance) P-C4' energy: -54.611
flat angles C4'-P-C4' energy: -49.642
flat angles P-C4'-P energy: -36.032
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: 6, replica: 7
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -661.872374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.872374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.872374 (E_RNA)
where:
Base-Base interactions energy: -439.681
where: short stacking energy: -186.549
Base-Backbone interact. energy: -0.174
local terms energy: -222.017592
where:
bonds (distance) C4'-P energy: -44.257
bonds (distance) P-C4' energy: -55.803
flat angles C4'-P-C4' energy: -45.627
flat angles P-C4'-P energy: -34.149
tors. eta vs tors. theta energy: -42.182
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: 6
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -627.085695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.085695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.085695 (E_RNA)
where:
Base-Base interactions energy: -418.299
where: short stacking energy: -189.914
Base-Backbone interact. energy: -1.157
local terms energy: -207.629543
where:
bonds (distance) C4'-P energy: -39.797
bonds (distance) P-C4' energy: -44.189
flat angles C4'-P-C4' energy: -47.832
flat angles P-C4'-P energy: -31.065
tors. eta vs tors. theta energy: -44.746
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: 8
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -597.811968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.811968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.811968 (E_RNA)
where:
Base-Base interactions energy: -399.354
where: short stacking energy: -190.521
Base-Backbone interact. energy: 0.163
local terms energy: -198.621038
where:
bonds (distance) C4'-P energy: -53.957
bonds (distance) P-C4' energy: -38.388
flat angles C4'-P-C4' energy: -45.315
flat angles P-C4'-P energy: -19.285
tors. eta vs tors. theta energy: -41.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -334.985206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.985206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.985206 (E_RNA)
where:
Base-Base interactions energy: -163.612
where: short stacking energy: -102.877
Base-Backbone interact. energy: 2.624
local terms energy: -173.997313
where:
bonds (distance) C4'-P energy: -37.244
bonds (distance) P-C4' energy: -41.259
flat angles C4'-P-C4' energy: -50.028
flat angles P-C4'-P energy: -30.425
tors. eta vs tors. theta energy: -15.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -295.658035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.658035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.658035 (E_RNA)
where:
Base-Base interactions energy: -146.698
where: short stacking energy: -75.411
Base-Backbone interact. energy: 0.250
local terms energy: -149.209770
where:
bonds (distance) C4'-P energy: -49.040
bonds (distance) P-C4' energy: -54.618
flat angles C4'-P-C4' energy: -32.348
flat angles P-C4'-P energy: -11.135
tors. eta vs tors. theta energy: -2.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -919.072384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.072384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.072384 (E_RNA)
where:
Base-Base interactions energy: -625.708
where: short stacking energy: -277.069
Base-Backbone interact. energy: -0.953
local terms energy: -292.411569
where:
bonds (distance) C4'-P energy: -49.796
bonds (distance) P-C4' energy: -53.049
flat angles C4'-P-C4' energy: -66.804
flat angles P-C4'-P energy: -40.475
tors. eta vs tors. theta energy: -82.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -905.315802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.315802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.315802 (E_RNA)
where:
Base-Base interactions energy: -628.377
where: short stacking energy: -260.911
Base-Backbone interact. energy: -1.171
local terms energy: -275.767677
where:
bonds (distance) C4'-P energy: -50.382
bonds (distance) P-C4' energy: -53.245
flat angles C4'-P-C4' energy: -57.128
flat angles P-C4'-P energy: -41.173
tors. eta vs tors. theta energy: -73.840
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: 3
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -859.705254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.705254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.705254 (E_RNA)
where:
Base-Base interactions energy: -604.764
where: short stacking energy: -258.226
Base-Backbone interact. energy: -1.657
local terms energy: -253.284333
where:
bonds (distance) C4'-P energy: -49.100
bonds (distance) P-C4' energy: -45.678
flat angles C4'-P-C4' energy: -54.529
flat angles P-C4'-P energy: -39.860
tors. eta vs tors. theta energy: -64.117
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: 4
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -799.076018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.076018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.076018 (E_RNA)
where:
Base-Base interactions energy: -526.229
where: short stacking energy: -222.373
Base-Backbone interact. energy: -1.141
local terms energy: -271.705646
where:
bonds (distance) C4'-P energy: -53.834
bonds (distance) P-C4' energy: -50.453
flat angles C4'-P-C4' energy: -58.985
flat angles P-C4'-P energy: -40.401
tors. eta vs tors. theta energy: -68.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -706.707993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.707993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.707993 (E_RNA)
where:
Base-Base interactions energy: -464.356
where: short stacking energy: -201.159
Base-Backbone interact. energy: 3.745
local terms energy: -246.096899
where:
bonds (distance) C4'-P energy: -44.136
bonds (distance) P-C4' energy: -51.306
flat angles C4'-P-C4' energy: -56.544
flat angles P-C4'-P energy: -42.188
tors. eta vs tors. theta energy: -51.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -706.045928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.045928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.045928 (E_RNA)
where:
Base-Base interactions energy: -486.326
where: short stacking energy: -206.218
Base-Backbone interact. energy: -1.651
local terms energy: -218.069092
where:
bonds (distance) C4'-P energy: -40.162
bonds (distance) P-C4' energy: -49.528
flat angles C4'-P-C4' energy: -45.070
flat angles P-C4'-P energy: -34.540
tors. eta vs tors. theta energy: -48.769
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: 7, replica: 6
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -611.594521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.594521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.594521 (E_RNA)
where:
Base-Base interactions energy: -417.849
where: short stacking energy: -174.952
Base-Backbone interact. energy: -0.832
local terms energy: -192.912657
where:
bonds (distance) C4'-P energy: -28.835
bonds (distance) P-C4' energy: -43.133
flat angles C4'-P-C4' energy: -51.094
flat angles P-C4'-P energy: -30.116
tors. eta vs tors. theta energy: -39.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -581.492239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.492239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.492239 (E_RNA)
where:
Base-Base interactions energy: -366.497
where: short stacking energy: -173.093
Base-Backbone interact. energy: -1.967
local terms energy: -213.027955
where:
bonds (distance) C4'-P energy: -38.157
bonds (distance) P-C4' energy: -44.005
flat angles C4'-P-C4' energy: -56.822
flat angles P-C4'-P energy: -21.104
tors. eta vs tors. theta energy: -52.939
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: 10
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -328.521143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.521143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.521143 (E_RNA)
where:
Base-Base interactions energy: -168.664
where: short stacking energy: -88.556
Base-Backbone interact. energy: -1.128
local terms energy: -158.729281
where:
bonds (distance) C4'-P energy: -38.553
bonds (distance) P-C4' energy: -42.506
flat angles C4'-P-C4' energy: -27.129
flat angles P-C4'-P energy: -42.226
tors. eta vs tors. theta energy: -8.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -327.984777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.984777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.984777 (E_RNA)
where:
Base-Base interactions energy: -164.840
where: short stacking energy: -73.131
Base-Backbone interact. energy: -1.245
local terms energy: -161.899407
where:
bonds (distance) C4'-P energy: -48.726
bonds (distance) P-C4' energy: -48.789
flat angles C4'-P-C4' energy: -41.875
flat angles P-C4'-P energy: -22.947
tors. eta vs tors. theta energy: 0.438
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: 383
Temperature: 0.900000
Total energy: -912.510149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.510149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.510149 (E_RNA)
where:
Base-Base interactions energy: -621.579
where: short stacking energy: -278.582
Base-Backbone interact. energy: -0.933
local terms energy: -289.998081
where:
bonds (distance) C4'-P energy: -53.172
bonds (distance) P-C4' energy: -57.301
flat angles C4'-P-C4' energy: -58.369
flat angles P-C4'-P energy: -37.378
tors. eta vs tors. theta energy: -83.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -893.543880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.543880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.543880 (E_RNA)
where:
Base-Base interactions energy: -612.486
where: short stacking energy: -264.334
Base-Backbone interact. energy: 1.133
local terms energy: -282.191187
where:
bonds (distance) C4'-P energy: -49.970
bonds (distance) P-C4' energy: -52.820
flat angles C4'-P-C4' energy: -61.434
flat angles P-C4'-P energy: -44.168
tors. eta vs tors. theta energy: -73.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -853.929823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.929823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.929823 (E_RNA)
where:
Base-Base interactions energy: -593.381
where: short stacking energy: -239.953
Base-Backbone interact. energy: -1.411
local terms energy: -259.137318
where:
bonds (distance) C4'-P energy: -54.986
bonds (distance) P-C4' energy: -49.566
flat angles C4'-P-C4' energy: -56.505
flat angles P-C4'-P energy: -32.852
tors. eta vs tors. theta energy: -65.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -795.757447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.757447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.757447 (E_RNA)
where:
Base-Base interactions energy: -547.938
where: short stacking energy: -237.837
Base-Backbone interact. energy: -0.663
local terms energy: -247.155843
where:
bonds (distance) C4'-P energy: -46.809
bonds (distance) P-C4' energy: -53.344
flat angles C4'-P-C4' energy: -52.278
flat angles P-C4'-P energy: -31.184
tors. eta vs tors. theta energy: -63.541
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: 5, replica: 7
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -701.754737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.754737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.754737 (E_RNA)
where:
Base-Base interactions energy: -463.287
where: short stacking energy: -216.333
Base-Backbone interact. energy: -1.787
local terms energy: -236.680038
where:
bonds (distance) C4'-P energy: -43.243
bonds (distance) P-C4' energy: -47.970
flat angles C4'-P-C4' energy: -57.782
flat angles P-C4'-P energy: -36.988
tors. eta vs tors. theta energy: -50.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -639.619269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.619269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.619269 (E_RNA)
where:
Base-Base interactions energy: -422.943
where: short stacking energy: -195.784
Base-Backbone interact. energy: -0.445
local terms energy: -216.231224
where:
bonds (distance) C4'-P energy: -49.967
bonds (distance) P-C4' energy: -40.210
flat angles C4'-P-C4' energy: -48.619
flat angles P-C4'-P energy: -30.806
tors. eta vs tors. theta energy: -46.630
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: 383
Temperature: 1.200000
Total energy: -658.844705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.844705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.844705 (E_RNA)
where:
Base-Base interactions energy: -454.050
where: short stacking energy: -197.397
Base-Backbone interact. energy: 3.013
local terms energy: -207.808196
where:
bonds (distance) C4'-P energy: -45.918
bonds (distance) P-C4' energy: -31.250
flat angles C4'-P-C4' energy: -55.408
flat angles P-C4'-P energy: -34.462
tors. eta vs tors. theta energy: -40.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -594.756477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.756477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.756477 (E_RNA)
where:
Base-Base interactions energy: -387.229
where: short stacking energy: -178.008
Base-Backbone interact. energy: 0.237
local terms energy: -207.763674
where:
bonds (distance) C4'-P energy: -46.072
bonds (distance) P-C4' energy: -37.526
flat angles C4'-P-C4' energy: -49.880
flat angles P-C4'-P energy: -33.919
tors. eta vs tors. theta energy: -40.367
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: 10
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -314.664357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.664357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.664357 (E_RNA)
where:
Base-Base interactions energy: -140.278
where: short stacking energy: -74.102
Base-Backbone interact. energy: -0.636
local terms energy: -173.749807
where:
bonds (distance) C4'-P energy: -48.554
bonds (distance) P-C4' energy: -59.346
flat angles C4'-P-C4' energy: -33.851
flat angles P-C4'-P energy: -22.927
tors. eta vs tors. theta energy: -9.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -349.574768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.574768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.574768 (E_RNA)
where:
Base-Base interactions energy: -202.724
where: short stacking energy: -95.373
Base-Backbone interact. energy: -0.654
local terms energy: -146.196897
where:
bonds (distance) C4'-P energy: -41.492
bonds (distance) P-C4' energy: -38.658
flat angles C4'-P-C4' energy: -31.266
flat angles P-C4'-P energy: -34.463
tors. eta vs tors. theta energy: -0.319
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: 1, replica: 2
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -907.972312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.972312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.972312 (E_RNA)
where:
Base-Base interactions energy: -616.699
where: short stacking energy: -281.085
Base-Backbone interact. energy: -0.134
local terms energy: -291.139484
where:
bonds (distance) C4'-P energy: -46.103
bonds (distance) P-C4' energy: -58.733
flat angles C4'-P-C4' energy: -65.131
flat angles P-C4'-P energy: -38.688
tors. eta vs tors. theta energy: -82.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -892.888159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.888159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.888159 (E_RNA)
where:
Base-Base interactions energy: -633.026
where: short stacking energy: -266.763
Base-Backbone interact. energy: 0.312
local terms energy: -260.174522
where:
bonds (distance) C4'-P energy: -42.910
bonds (distance) P-C4' energy: -48.687
flat angles C4'-P-C4' energy: -57.829
flat angles P-C4'-P energy: -37.363
tors. eta vs tors. theta energy: -73.385
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: 3
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -842.165614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.165614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.165614 (E_RNA)
where:
Base-Base interactions energy: -590.060
where: short stacking energy: -254.284
Base-Backbone interact. energy: -1.011
local terms energy: -251.094717
where:
bonds (distance) C4'-P energy: -39.965
bonds (distance) P-C4' energy: -42.710
flat angles C4'-P-C4' energy: -60.956
flat angles P-C4'-P energy: -42.594
tors. eta vs tors. theta energy: -64.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -800.574615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.574615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.574615 (E_RNA)
where:
Base-Base interactions energy: -551.626
where: short stacking energy: -229.625
Base-Backbone interact. energy: -0.006
local terms energy: -248.943594
where:
bonds (distance) C4'-P energy: -39.159
bonds (distance) P-C4' energy: -49.221
flat angles C4'-P-C4' energy: -57.184
flat angles P-C4'-P energy: -34.202
tors. eta vs tors. theta energy: -69.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -696.761774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.761774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.761774 (E_RNA)
where:
Base-Base interactions energy: -475.201
where: short stacking energy: -205.436
Base-Backbone interact. energy: -0.730
local terms energy: -220.830511
where:
bonds (distance) C4'-P energy: -46.644
bonds (distance) P-C4' energy: -48.980
flat angles C4'-P-C4' energy: -49.312
flat angles P-C4'-P energy: -28.537
tors. eta vs tors. theta energy: -47.357
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: 384
Temperature: 1.150000
Total energy: -637.679942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.679942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.679942 (E_RNA)
where:
Base-Base interactions energy: -413.375
where: short stacking energy: -183.626
Base-Backbone interact. energy: 0.523
local terms energy: -224.828102
where:
bonds (distance) C4'-P energy: -46.695
bonds (distance) P-C4' energy: -54.342
flat angles C4'-P-C4' energy: -52.935
flat angles P-C4'-P energy: -26.361
tors. eta vs tors. theta energy: -44.495
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: 1
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -649.821605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.821605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.821605 (E_RNA)
where:
Base-Base interactions energy: -453.306
where: short stacking energy: -191.841
Base-Backbone interact. energy: -0.387
local terms energy: -196.129185
where:
bonds (distance) C4'-P energy: -44.060
bonds (distance) P-C4' energy: -30.820
flat angles C4'-P-C4' energy: -44.943
flat angles P-C4'-P energy: -36.586
tors. eta vs tors. theta energy: -39.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -589.044919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.044919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.044919 (E_RNA)
where:
Base-Base interactions energy: -379.826
where: short stacking energy: -173.744
Base-Backbone interact. energy: -0.455
local terms energy: -208.763770
where:
bonds (distance) C4'-P energy: -38.482
bonds (distance) P-C4' energy: -40.971
flat angles C4'-P-C4' energy: -55.481
flat angles P-C4'-P energy: -34.889
tors. eta vs tors. theta energy: -38.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -396.016086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.016086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.016086 (E_RNA)
where:
Base-Base interactions energy: -213.989
where: short stacking energy: -101.344
Base-Backbone interact. energy: 3.813
local terms energy: -185.840021
where:
bonds (distance) C4'-P energy: -47.837
bonds (distance) P-C4' energy: -52.627
flat angles C4'-P-C4' energy: -39.376
flat angles P-C4'-P energy: -31.886
tors. eta vs tors. theta energy: -14.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -224.556106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.556106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.556106 (E_RNA)
where:
Base-Base interactions energy: -56.777
where: short stacking energy: -50.943
Base-Backbone interact. energy: -0.104
local terms energy: -167.674690
where:
bonds (distance) C4'-P energy: -40.181
bonds (distance) P-C4' energy: -50.187
flat angles C4'-P-C4' energy: -52.190
flat angles P-C4'-P energy: -33.451
tors. eta vs tors. theta energy: 8.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -908.972173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.972173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.972173 (E_RNA)
where:
Base-Base interactions energy: -613.319
where: short stacking energy: -281.755
Base-Backbone interact. energy: -0.913
local terms energy: -294.739596
where:
bonds (distance) C4'-P energy: -47.014
bonds (distance) P-C4' energy: -59.765
flat angles C4'-P-C4' energy: -60.487
flat angles P-C4'-P energy: -39.840
tors. eta vs tors. theta energy: -87.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -895.312362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.312362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.312362 (E_RNA)
where:
Base-Base interactions energy: -611.376
where: short stacking energy: -260.054
Base-Backbone interact. energy: -2.062
local terms energy: -281.874964
where:
bonds (distance) C4'-P energy: -54.665
bonds (distance) P-C4' energy: -54.049
flat angles C4'-P-C4' energy: -58.711
flat angles P-C4'-P energy: -40.945
tors. eta vs tors. theta energy: -73.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -858.173595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.173595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.173595 (E_RNA)
where:
Base-Base interactions energy: -588.955
where: short stacking energy: -258.330
Base-Backbone interact. energy: -1.015
local terms energy: -268.203653
where:
bonds (distance) C4'-P energy: -51.266
bonds (distance) P-C4' energy: -55.430
flat angles C4'-P-C4' energy: -54.638
flat angles P-C4'-P energy: -33.485
tors. eta vs tors. theta energy: -73.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -809.797731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.797731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.797731 (E_RNA)
where:
Base-Base interactions energy: -560.518
where: short stacking energy: -239.947
Base-Backbone interact. energy: -2.218
local terms energy: -247.062618
where:
bonds (distance) C4'-P energy: -43.059
bonds (distance) P-C4' energy: -46.804
flat angles C4'-P-C4' energy: -47.577
flat angles P-C4'-P energy: -39.917
tors. eta vs tors. theta energy: -69.705
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: 7
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -711.267524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.267524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.267524 (E_RNA)
where:
Base-Base interactions energy: -471.404
where: short stacking energy: -198.371
Base-Backbone interact. energy: -0.909
local terms energy: -238.954132
where:
bonds (distance) C4'-P energy: -53.373
bonds (distance) P-C4' energy: -52.070
flat angles C4'-P-C4' energy: -53.657
flat angles P-C4'-P energy: -33.574
tors. eta vs tors. theta energy: -46.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -680.778831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.778831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.778831 (E_RNA)
where:
Base-Base interactions energy: -488.651
where: short stacking energy: -209.040
Base-Backbone interact. energy: 0.902
local terms energy: -193.029823
where:
bonds (distance) C4'-P energy: -41.496
bonds (distance) P-C4' energy: -47.199
flat angles C4'-P-C4' energy: -40.372
flat angles P-C4'-P energy: -20.984
tors. eta vs tors. theta energy: -42.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -633.978591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.978591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.978591 (E_RNA)
where:
Base-Base interactions energy: -422.766
where: short stacking energy: -177.978
Base-Backbone interact. energy: -0.656
local terms energy: -210.557154
where:
bonds (distance) C4'-P energy: -44.076
bonds (distance) P-C4' energy: -43.566
flat angles C4'-P-C4' energy: -57.022
flat angles P-C4'-P energy: -26.322
tors. eta vs tors. theta energy: -39.571
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: 8
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -592.131426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.131426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.131426 (E_RNA)
where:
Base-Base interactions energy: -387.004
where: short stacking energy: -174.971
Base-Backbone interact. energy: -0.866
local terms energy: -204.261457
where:
bonds (distance) C4'-P energy: -44.909
bonds (distance) P-C4' energy: -51.373
flat angles C4'-P-C4' energy: -48.380
flat angles P-C4'-P energy: -24.499
tors. eta vs tors. theta energy: -35.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -379.478277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.478277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.478277 (E_RNA)
where:
Base-Base interactions energy: -205.992
where: short stacking energy: -95.193
Base-Backbone interact. energy: 0.288
local terms energy: -173.773727
where:
bonds (distance) C4'-P energy: -38.293
bonds (distance) P-C4' energy: -50.721
flat angles C4'-P-C4' energy: -47.504
flat angles P-C4'-P energy: -19.072
tors. eta vs tors. theta energy: -18.184
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: 385
Temperature: 1.350000
Total energy: -240.363279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.363279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.363279 (E_RNA)
where:
Base-Base interactions energy: -94.512
where: short stacking energy: -70.695
Base-Backbone interact. energy: -1.414
local terms energy: -144.437411
where:
bonds (distance) C4'-P energy: -45.911
bonds (distance) P-C4' energy: -33.953
flat angles C4'-P-C4' energy: -41.050
flat angles P-C4'-P energy: -24.897
tors. eta vs tors. theta energy: 1.374
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: 1, replica: 5
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -907.793114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.793114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.793114 (E_RNA)
where:
Base-Base interactions energy: -636.742
where: short stacking energy: -268.593
Base-Backbone interact. energy: -1.799
local terms energy: -269.252656
where:
bonds (distance) C4'-P energy: -49.118
bonds (distance) P-C4' energy: -43.428
flat angles C4'-P-C4' energy: -59.465
flat angles P-C4'-P energy: -42.043
tors. eta vs tors. theta energy: -75.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -906.579485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.579485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.579485 (E_RNA)
where:
Base-Base interactions energy: -608.638
where: short stacking energy: -274.152
Base-Backbone interact. energy: 0.173
local terms energy: -298.114518
where:
bonds (distance) C4'-P energy: -49.934
bonds (distance) P-C4' energy: -59.988
flat angles C4'-P-C4' energy: -63.639
flat angles P-C4'-P energy: -45.900
tors. eta vs tors. theta energy: -78.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -861.927809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.927809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.927809 (E_RNA)
where:
Base-Base interactions energy: -595.776
where: short stacking energy: -261.668
Base-Backbone interact. energy: -0.890
local terms energy: -265.261836
where:
bonds (distance) C4'-P energy: -54.025
bonds (distance) P-C4' energy: -46.138
flat angles C4'-P-C4' energy: -57.275
flat angles P-C4'-P energy: -34.850
tors. eta vs tors. theta energy: -72.973
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: 4
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -807.220257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.220257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.220257 (E_RNA)
where:
Base-Base interactions energy: -541.719
where: short stacking energy: -234.862
Base-Backbone interact. energy: -1.753
local terms energy: -263.748547
where:
bonds (distance) C4'-P energy: -53.928
bonds (distance) P-C4' energy: -44.635
flat angles C4'-P-C4' energy: -55.699
flat angles P-C4'-P energy: -39.235
tors. eta vs tors. theta energy: -70.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -741.094290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.094290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.094290 (E_RNA)
where:
Base-Base interactions energy: -496.973
where: short stacking energy: -228.011
Base-Backbone interact. energy: -0.891
local terms energy: -243.230402
where:
bonds (distance) C4'-P energy: -40.557
bonds (distance) P-C4' energy: -47.049
flat angles C4'-P-C4' energy: -63.396
flat angles P-C4'-P energy: -35.050
tors. eta vs tors. theta energy: -57.178
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: 7
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -691.186220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.186220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.186220 (E_RNA)
where:
Base-Base interactions energy: -458.634
where: short stacking energy: -208.048
Base-Backbone interact. energy: -1.327
local terms energy: -231.224871
where:
bonds (distance) C4'-P energy: -37.689
bonds (distance) P-C4' energy: -42.819
flat angles C4'-P-C4' energy: -58.556
flat angles P-C4'-P energy: -36.926
tors. eta vs tors. theta energy: -55.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -588.085499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.085499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.085499 (E_RNA)
where:
Base-Base interactions energy: -363.712
where: short stacking energy: -149.058
Base-Backbone interact. energy: -0.516
local terms energy: -223.858008
where:
bonds (distance) C4'-P energy: -54.267
bonds (distance) P-C4' energy: -50.480
flat angles C4'-P-C4' energy: -45.159
flat angles P-C4'-P energy: -35.665
tors. eta vs tors. theta energy: -38.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -588.088478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.088478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.088478 (E_RNA)
where:
Base-Base interactions energy: -380.280
where: short stacking energy: -163.194
Base-Backbone interact. energy: -0.154
local terms energy: -207.654777
where:
bonds (distance) C4'-P energy: -50.242
bonds (distance) P-C4' energy: -51.365
flat angles C4'-P-C4' energy: -45.265
flat angles P-C4'-P energy: -31.284
tors. eta vs tors. theta energy: -29.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -235.653884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.653884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.653884 (E_RNA)
where:
Base-Base interactions energy: -75.011
where: short stacking energy: -66.463
Base-Backbone interact. energy: 0.687
local terms energy: -161.329715
where:
bonds (distance) C4'-P energy: -45.498
bonds (distance) P-C4' energy: -39.616
flat angles C4'-P-C4' energy: -43.241
flat angles P-C4'-P energy: -26.326
tors. eta vs tors. theta energy: -6.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -282.462136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.462136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.462136 (E_RNA)
where:
Base-Base interactions energy: -134.586
where: short stacking energy: -80.838
Base-Backbone interact. energy: -0.992
local terms energy: -146.884591
where:
bonds (distance) C4'-P energy: -37.061
bonds (distance) P-C4' energy: -42.845
flat angles C4'-P-C4' energy: -42.048
flat angles P-C4'-P energy: -23.980
tors. eta vs tors. theta energy: -0.951
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: 5
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -921.046956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.046956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.046956 (E_RNA)
where:
Base-Base interactions energy: -636.855
where: short stacking energy: -267.104
Base-Backbone interact. energy: -1.950
local terms energy: -282.241284
where:
bonds (distance) C4'-P energy: -55.273
bonds (distance) P-C4' energy: -58.675
flat angles C4'-P-C4' energy: -54.438
flat angles P-C4'-P energy: -39.433
tors. eta vs tors. theta energy: -74.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -877.573470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.573470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.573470 (E_RNA)
where:
Base-Base interactions energy: -615.456
where: short stacking energy: -266.396
Base-Backbone interact. energy: -0.257
local terms energy: -261.859561
where:
bonds (distance) C4'-P energy: -46.559
bonds (distance) P-C4' energy: -47.486
flat angles C4'-P-C4' energy: -59.786
flat angles P-C4'-P energy: -29.931
tors. eta vs tors. theta energy: -78.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -833.660352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.660352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.660352 (E_RNA)
where:
Base-Base interactions energy: -577.145
where: short stacking energy: -243.135
Base-Backbone interact. energy: 0.018
local terms energy: -256.533398
where:
bonds (distance) C4'-P energy: -49.892
bonds (distance) P-C4' energy: -51.734
flat angles C4'-P-C4' energy: -53.364
flat angles P-C4'-P energy: -34.307
tors. eta vs tors. theta energy: -67.236
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: 4
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -797.840266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.840266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.840266 (E_RNA)
where:
Base-Base interactions energy: -550.144
where: short stacking energy: -221.138
Base-Backbone interact. energy: -1.253
local terms energy: -246.443350
where:
bonds (distance) C4'-P energy: -47.401
bonds (distance) P-C4' energy: -51.370
flat angles C4'-P-C4' energy: -53.965
flat angles P-C4'-P energy: -28.514
tors. eta vs tors. theta energy: -65.193
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: 1
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -712.737791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.737791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.737791 (E_RNA)
where:
Base-Base interactions energy: -486.059
where: short stacking energy: -201.828
Base-Backbone interact. energy: 0.237
local terms energy: -226.915600
where:
bonds (distance) C4'-P energy: -47.996
bonds (distance) P-C4' energy: -51.507
flat angles C4'-P-C4' energy: -50.349
flat angles P-C4'-P energy: -40.088
tors. eta vs tors. theta energy: -36.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -611.576372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.576372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.576372 (E_RNA)
where:
Base-Base interactions energy: -384.984
where: short stacking energy: -165.406
Base-Backbone interact. energy: -0.605
local terms energy: -225.986932
where:
bonds (distance) C4'-P energy: -52.697
bonds (distance) P-C4' energy: -43.485
flat angles C4'-P-C4' energy: -47.073
flat angles P-C4'-P energy: -40.318
tors. eta vs tors. theta energy: -42.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -634.910283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.910283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.910283 (E_RNA)
where:
Base-Base interactions energy: -424.551
where: short stacking energy: -184.680
Base-Backbone interact. energy: 3.235
local terms energy: -213.594480
where:
bonds (distance) C4'-P energy: -44.183
bonds (distance) P-C4' energy: -44.860
flat angles C4'-P-C4' energy: -45.420
flat angles P-C4'-P energy: -22.182
tors. eta vs tors. theta energy: -56.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -617.614837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.614837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.614837 (E_RNA)
where:
Base-Base interactions energy: -398.436
where: short stacking energy: -171.339
Base-Backbone interact. energy: -1.131
local terms energy: -218.047811
where:
bonds (distance) C4'-P energy: -47.005
bonds (distance) P-C4' energy: -50.147
flat angles C4'-P-C4' energy: -51.813
flat angles P-C4'-P energy: -32.907
tors. eta vs tors. theta energy: -36.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -248.968752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.968752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.968752 (E_RNA)
where:
Base-Base interactions energy: -110.251
where: short stacking energy: -79.835
Base-Backbone interact. energy: 0.934
local terms energy: -139.652459
where:
bonds (distance) C4'-P energy: -34.369
bonds (distance) P-C4' energy: -43.429
flat angles C4'-P-C4' energy: -40.597
flat angles P-C4'-P energy: -26.219
tors. eta vs tors. theta energy: 4.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -286.423904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.423904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.423904 (E_RNA)
where:
Base-Base interactions energy: -130.416
where: short stacking energy: -81.262
Base-Backbone interact. energy: 0.438
local terms energy: -156.445578
where:
bonds (distance) C4'-P energy: -47.628
bonds (distance) P-C4' energy: -38.318
flat angles C4'-P-C4' energy: -35.943
flat angles P-C4'-P energy: -32.967
tors. eta vs tors. theta energy: -1.589
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: 1, replica: 2
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -906.594208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.594208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.594208 (E_RNA)
where:
Base-Base interactions energy: -615.063
where: short stacking energy: -274.051
Base-Backbone interact. energy: -0.978
local terms energy: -290.552868
where:
bonds (distance) C4'-P energy: -57.730
bonds (distance) P-C4' energy: -52.177
flat angles C4'-P-C4' energy: -57.852
flat angles P-C4'-P energy: -41.540
tors. eta vs tors. theta energy: -81.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -910.464709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.464709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.464709 (E_RNA)
where:
Base-Base interactions energy: -631.346
where: short stacking energy: -265.785
Base-Backbone interact. energy: -2.243
local terms energy: -276.875672
where:
bonds (distance) C4'-P energy: -47.831
bonds (distance) P-C4' energy: -46.791
flat angles C4'-P-C4' energy: -61.143
flat angles P-C4'-P energy: -50.299
tors. eta vs tors. theta energy: -70.811
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: 3, replica: 3
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -837.091795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.091795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.091795 (E_RNA)
where:
Base-Base interactions energy: -584.168
where: short stacking energy: -252.496
Base-Backbone interact. energy: 0.681
local terms energy: -253.604898
where:
bonds (distance) C4'-P energy: -46.063
bonds (distance) P-C4' energy: -53.295
flat angles C4'-P-C4' energy: -55.461
flat angles P-C4'-P energy: -35.770
tors. eta vs tors. theta energy: -63.017
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: 4
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -813.654846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.654846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.654846 (E_RNA)
where:
Base-Base interactions energy: -567.149
where: short stacking energy: -235.257
Base-Backbone interact. energy: -0.846
local terms energy: -245.659698
where:
bonds (distance) C4'-P energy: -45.100
bonds (distance) P-C4' energy: -48.258
flat angles C4'-P-C4' energy: -57.977
flat angles P-C4'-P energy: -28.365
tors. eta vs tors. theta energy: -65.959
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: 1
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -728.159934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.159934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.159934 (E_RNA)
where:
Base-Base interactions energy: -491.567
where: short stacking energy: -224.280
Base-Backbone interact. energy: -1.383
local terms energy: -235.210453
where:
bonds (distance) C4'-P energy: -37.494
bonds (distance) P-C4' energy: -51.163
flat angles C4'-P-C4' energy: -49.631
flat angles P-C4'-P energy: -40.644
tors. eta vs tors. theta energy: -56.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -663.579059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.579059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.579059 (E_RNA)
where:
Base-Base interactions energy: -441.436
where: short stacking energy: -205.196
Base-Backbone interact. energy: -0.632
local terms energy: -221.510440
where:
bonds (distance) C4'-P energy: -41.047
bonds (distance) P-C4' energy: -42.485
flat angles C4'-P-C4' energy: -60.614
flat angles P-C4'-P energy: -33.346
tors. eta vs tors. theta energy: -44.018
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: 7, replica: 7
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -659.274641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.274641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.274641 (E_RNA)
where:
Base-Base interactions energy: -447.765
where: short stacking energy: -202.391
Base-Backbone interact. energy: -0.483
local terms energy: -211.026534
where:
bonds (distance) C4'-P energy: -49.231
bonds (distance) P-C4' energy: -39.865
flat angles C4'-P-C4' energy: -45.714
flat angles P-C4'-P energy: -31.352
tors. eta vs tors. theta energy: -44.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -569.557221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.557221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.557221 (E_RNA)
where:
Base-Base interactions energy: -379.923
where: short stacking energy: -173.039
Base-Backbone interact. energy: -0.949
local terms energy: -188.685369
where:
bonds (distance) C4'-P energy: -35.440
bonds (distance) P-C4' energy: -53.647
flat angles C4'-P-C4' energy: -42.122
flat angles P-C4'-P energy: -16.688
tors. eta vs tors. theta energy: -40.789
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: 9
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -311.032842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.032842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.032842 (E_RNA)
where:
Base-Base interactions energy: -152.837
where: short stacking energy: -91.427
Base-Backbone interact. energy: -2.409
local terms energy: -155.786404
where:
bonds (distance) C4'-P energy: -49.691
bonds (distance) P-C4' energy: -40.558
flat angles C4'-P-C4' energy: -33.771
flat angles P-C4'-P energy: -25.426
tors. eta vs tors. theta energy: -6.340
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: 10
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -262.558375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.558375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.558375 (E_RNA)
where:
Base-Base interactions energy: -124.638
where: short stacking energy: -78.600
Base-Backbone interact. energy: -0.362
local terms energy: -137.559129
where:
bonds (distance) C4'-P energy: -37.556
bonds (distance) P-C4' energy: -36.447
flat angles C4'-P-C4' energy: -47.992
flat angles P-C4'-P energy: -16.748
tors. eta vs tors. theta energy: 1.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -894.768039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.768039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.768039 (E_RNA)
where:
Base-Base interactions energy: -606.839
where: short stacking energy: -270.859
Base-Backbone interact. energy: 0.359
local terms energy: -288.287753
where:
bonds (distance) C4'-P energy: -53.679
bonds (distance) P-C4' energy: -58.081
flat angles C4'-P-C4' energy: -58.092
flat angles P-C4'-P energy: -39.579
tors. eta vs tors. theta energy: -78.856
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: 5
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -885.055575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.055575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.055575 (E_RNA)
where:
Base-Base interactions energy: -622.655
where: short stacking energy: -262.059
Base-Backbone interact. energy: -0.878
local terms energy: -261.521769
where:
bonds (distance) C4'-P energy: -43.339
bonds (distance) P-C4' energy: -52.676
flat angles C4'-P-C4' energy: -58.266
flat angles P-C4'-P energy: -43.262
tors. eta vs tors. theta energy: -63.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -821.278690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.278690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.278690 (E_RNA)
where:
Base-Base interactions energy: -565.980
where: short stacking energy: -254.668
Base-Backbone interact. energy: 0.956
local terms energy: -256.254246
where:
bonds (distance) C4'-P energy: -45.310
bonds (distance) P-C4' energy: -51.314
flat angles C4'-P-C4' energy: -55.464
flat angles P-C4'-P energy: -41.625
tors. eta vs tors. theta energy: -62.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -834.947237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.947237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.947237 (E_RNA)
where:
Base-Base interactions energy: -571.766
where: short stacking energy: -244.058
Base-Backbone interact. energy: -0.309
local terms energy: -262.871793
where:
bonds (distance) C4'-P energy: -49.959
bonds (distance) P-C4' energy: -52.172
flat angles C4'-P-C4' energy: -63.857
flat angles P-C4'-P energy: -31.178
tors. eta vs tors. theta energy: -65.705
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: 1
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -713.356719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.356719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.356719 (E_RNA)
where:
Base-Base interactions energy: -477.632
where: short stacking energy: -212.538
Base-Backbone interact. energy: 1.275
local terms energy: -236.999789
where:
bonds (distance) C4'-P energy: -36.881
bonds (distance) P-C4' energy: -57.356
flat angles C4'-P-C4' energy: -54.439
flat angles P-C4'-P energy: -34.029
tors. eta vs tors. theta energy: -54.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -684.469674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.469674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.469674 (E_RNA)
where:
Base-Base interactions energy: -464.827
where: short stacking energy: -202.738
Base-Backbone interact. energy: -0.971
local terms energy: -218.671769
where:
bonds (distance) C4'-P energy: -50.075
bonds (distance) P-C4' energy: -40.718
flat angles C4'-P-C4' energy: -49.265
flat angles P-C4'-P energy: -34.249
tors. eta vs tors. theta energy: -44.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -610.017824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.017824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.017824 (E_RNA)
where:
Base-Base interactions energy: -394.374
where: short stacking energy: -190.109
Base-Backbone interact. energy: -0.427
local terms energy: -215.217181
where:
bonds (distance) C4'-P energy: -50.812
bonds (distance) P-C4' energy: -56.001
flat angles C4'-P-C4' energy: -36.687
flat angles P-C4'-P energy: -30.309
tors. eta vs tors. theta energy: -41.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -599.193708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.193708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.193708 (E_RNA)
where:
Base-Base interactions energy: -390.366
where: short stacking energy: -159.330
Base-Backbone interact. energy: -0.536
local terms energy: -208.292000
where:
bonds (distance) C4'-P energy: -40.005
bonds (distance) P-C4' energy: -40.737
flat angles C4'-P-C4' energy: -51.204
flat angles P-C4'-P energy: -36.326
tors. eta vs tors. theta energy: -40.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -303.840159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.840159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.840159 (E_RNA)
where:
Base-Base interactions energy: -142.354
where: short stacking energy: -95.819
Base-Backbone interact. energy: -0.374
local terms energy: -161.112388
where:
bonds (distance) C4'-P energy: -41.958
bonds (distance) P-C4' energy: -50.886
flat angles C4'-P-C4' energy: -38.842
flat angles P-C4'-P energy: -31.607
tors. eta vs tors. theta energy: 2.181
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: 10, replica: 10
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -219.504509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.504509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.504509 (E_RNA)
where:
Base-Base interactions energy: -75.812
where: short stacking energy: -63.516
Base-Backbone interact. energy: 1.500
local terms energy: -145.192491
where:
bonds (distance) C4'-P energy: -36.599
bonds (distance) P-C4' energy: -51.682
flat angles C4'-P-C4' energy: -32.314
flat angles P-C4'-P energy: -26.466
tors. eta vs tors. theta energy: 1.868
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: 1, replica: 5
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -892.052908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.052908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.052908 (E_RNA)
where:
Base-Base interactions energy: -613.088
where: short stacking energy: -276.081
Base-Backbone interact. energy: -1.512
local terms energy: -277.452678
where:
bonds (distance) C4'-P energy: -46.685
bonds (distance) P-C4' energy: -56.473
flat angles C4'-P-C4' energy: -62.341
flat angles P-C4'-P energy: -39.877
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: 2, replica: 2
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -879.848504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.848504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.848504 (E_RNA)
where:
Base-Base interactions energy: -597.317
where: short stacking energy: -247.023
Base-Backbone interact. energy: -0.982
local terms energy: -281.549750
where:
bonds (distance) C4'-P energy: -56.104
bonds (distance) P-C4' energy: -58.964
flat angles C4'-P-C4' energy: -56.601
flat angles P-C4'-P energy: -39.989
tors. eta vs tors. theta energy: -69.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -836.685490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.685490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.685490 (E_RNA)
where:
Base-Base interactions energy: -570.600
where: short stacking energy: -237.740
Base-Backbone interact. energy: -0.199
local terms energy: -265.886382
where:
bonds (distance) C4'-P energy: -58.902
bonds (distance) P-C4' energy: -51.805
flat angles C4'-P-C4' energy: -52.619
flat angles P-C4'-P energy: -36.250
tors. eta vs tors. theta energy: -66.311
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: 4, replica: 3
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -802.384465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.384465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.384465 (E_RNA)
where:
Base-Base interactions energy: -556.604
where: short stacking energy: -234.712
Base-Backbone interact. energy: -2.067
local terms energy: -243.713730
where:
bonds (distance) C4'-P energy: -51.611
bonds (distance) P-C4' energy: -47.440
flat angles C4'-P-C4' energy: -57.448
flat angles P-C4'-P energy: -27.914
tors. eta vs tors. theta energy: -59.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -730.702818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.702818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.702818 (E_RNA)
where:
Base-Base interactions energy: -480.333
where: short stacking energy: -202.317
Base-Backbone interact. energy: -0.687
local terms energy: -249.683141
where:
bonds (distance) C4'-P energy: -57.211
bonds (distance) P-C4' energy: -52.648
flat angles C4'-P-C4' energy: -55.269
flat angles P-C4'-P energy: -31.399
tors. eta vs tors. theta energy: -53.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -703.455721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.455721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.455721 (E_RNA)
where:
Base-Base interactions energy: -508.496
where: short stacking energy: -206.325
Base-Backbone interact. energy: 1.191
local terms energy: -196.151056
where:
bonds (distance) C4'-P energy: -45.758
bonds (distance) P-C4' energy: -44.754
flat angles C4'-P-C4' energy: -45.702
flat angles P-C4'-P energy: -16.324
tors. eta vs tors. theta energy: -43.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -648.558293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.558293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.558293 (E_RNA)
where:
Base-Base interactions energy: -431.333
where: short stacking energy: -186.015
Base-Backbone interact. energy: 0.465
local terms energy: -217.690367
where:
bonds (distance) C4'-P energy: -49.073
bonds (distance) P-C4' energy: -43.179
flat angles C4'-P-C4' energy: -58.407
flat angles P-C4'-P energy: -25.888
tors. eta vs tors. theta energy: -41.143
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: 8
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -602.875635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.875635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.875635 (E_RNA)
where:
Base-Base interactions energy: -387.172
where: short stacking energy: -164.964
Base-Backbone interact. energy: 0.262
local terms energy: -215.966071
where:
bonds (distance) C4'-P energy: -48.465
bonds (distance) P-C4' energy: -42.859
flat angles C4'-P-C4' energy: -51.324
flat angles P-C4'-P energy: -30.796
tors. eta vs tors. theta energy: -42.522
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: 9
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -300.952454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.952454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.952454 (E_RNA)
where:
Base-Base interactions energy: -134.101
where: short stacking energy: -86.200
Base-Backbone interact. energy: 1.848
local terms energy: -168.698904
where:
bonds (distance) C4'-P energy: -46.122
bonds (distance) P-C4' energy: -45.450
flat angles C4'-P-C4' energy: -32.499
flat angles P-C4'-P energy: -30.911
tors. eta vs tors. theta energy: -13.718
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: 10
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -250.696497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.696497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.696497 (E_RNA)
where:
Base-Base interactions energy: -114.912
where: short stacking energy: -59.966
Base-Backbone interact. energy: 0.405
local terms energy: -136.189362
where:
bonds (distance) C4'-P energy: -47.629
bonds (distance) P-C4' energy: -50.553
flat angles C4'-P-C4' energy: -21.230
flat angles P-C4'-P energy: -26.824
tors. eta vs tors. theta energy: 10.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -905.619416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.619416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.619416 (E_RNA)
where:
Base-Base interactions energy: -627.054
where: short stacking energy: -274.439
Base-Backbone interact. energy: -0.640
local terms energy: -277.926143
where:
bonds (distance) C4'-P energy: -44.676
bonds (distance) P-C4' energy: -56.307
flat angles C4'-P-C4' energy: -61.527
flat angles P-C4'-P energy: -43.744
tors. eta vs tors. theta energy: -71.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -878.317316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.317316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.317316 (E_RNA)
where:
Base-Base interactions energy: -587.156
where: short stacking energy: -256.599
Base-Backbone interact. energy: -0.512
local terms energy: -290.649407
where:
bonds (distance) C4'-P energy: -55.000
bonds (distance) P-C4' energy: -56.489
flat angles C4'-P-C4' energy: -58.664
flat angles P-C4'-P energy: -41.819
tors. eta vs tors. theta energy: -78.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -852.178789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.178789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.178789 (E_RNA)
where:
Base-Base interactions energy: -595.421
where: short stacking energy: -258.834
Base-Backbone interact. energy: -1.008
local terms energy: -255.749318
where:
bonds (distance) C4'-P energy: -41.785
bonds (distance) P-C4' energy: -53.933
flat angles C4'-P-C4' energy: -51.605
flat angles P-C4'-P energy: -36.713
tors. eta vs tors. theta energy: -71.714
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: 3
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -804.985514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.985514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.985514 (E_RNA)
where:
Base-Base interactions energy: -572.265
where: short stacking energy: -240.222
Base-Backbone interact. energy: -1.276
local terms energy: -231.444883
where:
bonds (distance) C4'-P energy: -34.737
bonds (distance) P-C4' energy: -41.790
flat angles C4'-P-C4' energy: -55.242
flat angles P-C4'-P energy: -33.700
tors. eta vs tors. theta energy: -65.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -706.209977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.209977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.209977 (E_RNA)
where:
Base-Base interactions energy: -458.788
where: short stacking energy: -195.612
Base-Backbone interact. energy: -1.899
local terms energy: -245.522744
where:
bonds (distance) C4'-P energy: -50.218
bonds (distance) P-C4' energy: -47.747
flat angles C4'-P-C4' energy: -54.482
flat angles P-C4'-P energy: -43.457
tors. eta vs tors. theta energy: -49.619
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: 6, replica: 1
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -711.649331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.649331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.649331 (E_RNA)
where:
Base-Base interactions energy: -488.253
where: short stacking energy: -207.250
Base-Backbone interact. energy: 2.215
local terms energy: -225.611295
where:
bonds (distance) C4'-P energy: -48.126
bonds (distance) P-C4' energy: -39.065
flat angles C4'-P-C4' energy: -53.294
flat angles P-C4'-P energy: -30.182
tors. eta vs tors. theta energy: -54.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -643.702405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.702405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.702405 (E_RNA)
where:
Base-Base interactions energy: -432.943
where: short stacking energy: -189.385
Base-Backbone interact. energy: -0.889
local terms energy: -209.869843
where:
bonds (distance) C4'-P energy: -35.168
bonds (distance) P-C4' energy: -49.662
flat angles C4'-P-C4' energy: -52.095
flat angles P-C4'-P energy: -28.604
tors. eta vs tors. theta energy: -44.340
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: 8
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -560.749109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.749109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.749109 (E_RNA)
where:
Base-Base interactions energy: -357.120
where: short stacking energy: -157.934
Base-Backbone interact. energy: -0.815
local terms energy: -202.813924
where:
bonds (distance) C4'-P energy: -45.986
bonds (distance) P-C4' energy: -43.190
flat angles C4'-P-C4' energy: -43.945
flat angles P-C4'-P energy: -27.129
tors. eta vs tors. theta energy: -42.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -294.141276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.141276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.141276 (E_RNA)
where:
Base-Base interactions energy: -130.127
where: short stacking energy: -87.405
Base-Backbone interact. energy: -0.618
local terms energy: -163.396558
where:
bonds (distance) C4'-P energy: -46.225
bonds (distance) P-C4' energy: -43.368
flat angles C4'-P-C4' energy: -37.512
flat angles P-C4'-P energy: -25.086
tors. eta vs tors. theta energy: -11.206
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: 10
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -269.495011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.495011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.495011 (E_RNA)
where:
Base-Base interactions energy: -119.926
where: short stacking energy: -96.025
Base-Backbone interact. energy: 2.969
local terms energy: -152.537287
where:
bonds (distance) C4'-P energy: -42.608
bonds (distance) P-C4' energy: -43.193
flat angles C4'-P-C4' energy: -33.086
flat angles P-C4'-P energy: -21.527
tors. eta vs tors. theta energy: -12.122
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: 1, replica: 2
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -902.429206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.429206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.429206 (E_RNA)
where:
Base-Base interactions energy: -619.526
where: short stacking energy: -273.907
Base-Backbone interact. energy: -0.321
local terms energy: -282.582563
where:
bonds (distance) C4'-P energy: -55.638
bonds (distance) P-C4' energy: -53.958
flat angles C4'-P-C4' energy: -52.894
flat angles P-C4'-P energy: -43.608
tors. eta vs tors. theta energy: -76.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -884.220073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.220073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.220073 (E_RNA)
where:
Base-Base interactions energy: -620.455
where: short stacking energy: -271.134
Base-Backbone interact. energy: -1.775
local terms energy: -261.989969
where:
bonds (distance) C4'-P energy: -43.927
bonds (distance) P-C4' energy: -48.693
flat angles C4'-P-C4' energy: -58.453
flat angles P-C4'-P energy: -42.217
tors. eta vs tors. theta energy: -68.700
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: 3
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -836.561329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.561329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.561329 (E_RNA)
where:
Base-Base interactions energy: -571.415
where: short stacking energy: -250.842
Base-Backbone interact. energy: -1.594
local terms energy: -263.552026
where:
bonds (distance) C4'-P energy: -48.459
bonds (distance) P-C4' energy: -53.521
flat angles C4'-P-C4' energy: -55.430
flat angles P-C4'-P energy: -38.720
tors. eta vs tors. theta energy: -67.422
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: 4, replica: 4
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -846.205222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.205222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.205222 (E_RNA)
where:
Base-Base interactions energy: -589.155
where: short stacking energy: -260.930
Base-Backbone interact. energy: -1.652
local terms energy: -255.398276
where:
bonds (distance) C4'-P energy: -49.355
bonds (distance) P-C4' energy: -47.705
flat angles C4'-P-C4' energy: -51.626
flat angles P-C4'-P energy: -35.494
tors. eta vs tors. theta energy: -71.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -700.486288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.486288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.486288 (E_RNA)
where:
Base-Base interactions energy: -485.864
where: short stacking energy: -214.208
Base-Backbone interact. energy: -2.680
local terms energy: -211.942313
where:
bonds (distance) C4'-P energy: -47.065
bonds (distance) P-C4' energy: -33.342
flat angles C4'-P-C4' energy: -54.725
flat angles P-C4'-P energy: -26.312
tors. eta vs tors. theta energy: -50.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -662.462410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.462410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.462410 (E_RNA)
where:
Base-Base interactions energy: -437.879
where: short stacking energy: -189.105
Base-Backbone interact. energy: -0.458
local terms energy: -224.125240
where:
bonds (distance) C4'-P energy: -42.032
bonds (distance) P-C4' energy: -51.810
flat angles C4'-P-C4' energy: -54.732
flat angles P-C4'-P energy: -31.945
tors. eta vs tors. theta energy: -43.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -642.195370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.195370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.195370 (E_RNA)
where:
Base-Base interactions energy: -431.064
where: short stacking energy: -182.553
Base-Backbone interact. energy: -0.788
local terms energy: -210.342843
where:
bonds (distance) C4'-P energy: -44.008
bonds (distance) P-C4' energy: -47.916
flat angles C4'-P-C4' energy: -49.794
flat angles P-C4'-P energy: -28.197
tors. eta vs tors. theta energy: -40.428
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: 8, replica: 8
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -565.678760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.678760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.678760 (E_RNA)
where:
Base-Base interactions energy: -368.320
where: short stacking energy: -157.566
Base-Backbone interact. energy: -1.685
local terms energy: -195.673456
where:
bonds (distance) C4'-P energy: -41.608
bonds (distance) P-C4' energy: -43.766
flat angles C4'-P-C4' energy: -48.058
flat angles P-C4'-P energy: -28.173
tors. eta vs tors. theta energy: -34.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -314.912245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.912245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.912245 (E_RNA)
where:
Base-Base interactions energy: -154.316
where: short stacking energy: -105.418
Base-Backbone interact. energy: -1.515
local terms energy: -159.081510
where:
bonds (distance) C4'-P energy: -33.784
bonds (distance) P-C4' energy: -55.643
flat angles C4'-P-C4' energy: -46.375
flat angles P-C4'-P energy: -17.142
tors. eta vs tors. theta energy: -6.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -255.118228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.118228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.118228 (E_RNA)
where:
Base-Base interactions energy: -111.028
where: short stacking energy: -79.262
Base-Backbone interact. energy: -0.599
local terms energy: -143.491502
where:
bonds (distance) C4'-P energy: -38.786
bonds (distance) P-C4' energy: -48.412
flat angles C4'-P-C4' energy: -33.775
flat angles P-C4'-P energy: -20.235
tors. eta vs tors. theta energy: -2.284
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: 393
Temperature: 0.900000
Total energy: -908.463164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.463164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.463164 (E_RNA)
where:
Base-Base interactions energy: -609.096
where: short stacking energy: -273.931
Base-Backbone interact. energy: -0.688
local terms energy: -298.679779
where:
bonds (distance) C4'-P energy: -61.951
bonds (distance) P-C4' energy: -56.358
flat angles C4'-P-C4' energy: -61.583
flat angles P-C4'-P energy: -40.118
tors. eta vs tors. theta energy: -78.670
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: 2, replica: 5
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -880.639896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.639896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.639896 (E_RNA)
where:
Base-Base interactions energy: -604.489
where: short stacking energy: -251.710
Base-Backbone interact. energy: -0.615
local terms energy: -275.536344
where:
bonds (distance) C4'-P energy: -59.099
bonds (distance) P-C4' energy: -52.863
flat angles C4'-P-C4' energy: -59.307
flat angles P-C4'-P energy: -39.205
tors. eta vs tors. theta energy: -65.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -822.243621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.243621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.243621 (E_RNA)
where:
Base-Base interactions energy: -553.982
where: short stacking energy: -238.201
Base-Backbone interact. energy: -0.089
local terms energy: -268.172465
where:
bonds (distance) C4'-P energy: -54.839
bonds (distance) P-C4' energy: -54.052
flat angles C4'-P-C4' energy: -60.028
flat angles P-C4'-P energy: -34.016
tors. eta vs tors. theta energy: -65.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -841.165664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.165664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.165664 (E_RNA)
where:
Base-Base interactions energy: -583.045
where: short stacking energy: -244.911
Base-Backbone interact. energy: 0.260
local terms energy: -258.380284
where:
bonds (distance) C4'-P energy: -44.638
bonds (distance) P-C4' energy: -53.373
flat angles C4'-P-C4' energy: -50.717
flat angles P-C4'-P energy: -31.554
tors. eta vs tors. theta energy: -78.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -723.185329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.185329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.185329 (E_RNA)
where:
Base-Base interactions energy: -481.103
where: short stacking energy: -208.146
Base-Backbone interact. energy: -1.882
local terms energy: -240.200915
where:
bonds (distance) C4'-P energy: -47.114
bonds (distance) P-C4' energy: -41.719
flat angles C4'-P-C4' energy: -56.952
flat angles P-C4'-P energy: -35.445
tors. eta vs tors. theta energy: -58.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -646.030064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.030064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.030064 (E_RNA)
where:
Base-Base interactions energy: -420.191
where: short stacking energy: -177.934
Base-Backbone interact. energy: -1.143
local terms energy: -224.696394
where:
bonds (distance) C4'-P energy: -52.645
bonds (distance) P-C4' energy: -52.728
flat angles C4'-P-C4' energy: -52.466
flat angles P-C4'-P energy: -22.928
tors. eta vs tors. theta energy: -43.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -629.233142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.233142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.233142 (E_RNA)
where:
Base-Base interactions energy: -398.815
where: short stacking energy: -177.929
Base-Backbone interact. energy: -0.755
local terms energy: -229.662884
where:
bonds (distance) C4'-P energy: -45.897
bonds (distance) P-C4' energy: -45.740
flat angles C4'-P-C4' energy: -61.272
flat angles P-C4'-P energy: -32.883
tors. eta vs tors. theta energy: -43.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -610.129538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.129538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.129538 (E_RNA)
where:
Base-Base interactions energy: -394.710
where: short stacking energy: -195.646
Base-Backbone interact. energy: -0.462
local terms energy: -214.957294
where:
bonds (distance) C4'-P energy: -39.619
bonds (distance) P-C4' energy: -50.761
flat angles C4'-P-C4' energy: -50.269
flat angles P-C4'-P energy: -25.579
tors. eta vs tors. theta energy: -48.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -324.816722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.816722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.816722 (E_RNA)
where:
Base-Base interactions energy: -159.665
where: short stacking energy: -98.633
Base-Backbone interact. energy: -2.361
local terms energy: -162.790969
where:
bonds (distance) C4'-P energy: -39.501
bonds (distance) P-C4' energy: -52.432
flat angles C4'-P-C4' energy: -41.621
flat angles P-C4'-P energy: -22.541
tors. eta vs tors. theta energy: -6.696
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: 10
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -270.327446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.327446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.327446 (E_RNA)
where:
Base-Base interactions energy: -126.644
where: short stacking energy: -83.224
Base-Backbone interact. energy: 1.200
local terms energy: -144.883072
where:
bonds (distance) C4'-P energy: -54.690
bonds (distance) P-C4' energy: -44.575
flat angles C4'-P-C4' energy: -37.590
flat angles P-C4'-P energy: -12.707
tors. eta vs tors. theta energy: 4.680
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: 394
Temperature: 0.900000
Total energy: -907.250628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.250628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.250628 (E_RNA)
where:
Base-Base interactions energy: -620.051
where: short stacking energy: -281.705
Base-Backbone interact. energy: -1.318
local terms energy: -285.882016
where:
bonds (distance) C4'-P energy: -52.256
bonds (distance) P-C4' energy: -52.922
flat angles C4'-P-C4' energy: -56.374
flat angles P-C4'-P energy: -35.521
tors. eta vs tors. theta energy: -88.809
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: 5
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -879.862013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.862013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.862013 (E_RNA)
where:
Base-Base interactions energy: -606.763
where: short stacking energy: -254.528
Base-Backbone interact. energy: 0.080
local terms energy: -273.179146
where:
bonds (distance) C4'-P energy: -54.278
bonds (distance) P-C4' energy: -53.424
flat angles C4'-P-C4' energy: -64.342
flat angles P-C4'-P energy: -39.640
tors. eta vs tors. theta energy: -61.495
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: 4
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -870.513433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.513433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.513433 (E_RNA)
where:
Base-Base interactions energy: -587.605
where: short stacking energy: -262.780
Base-Backbone interact. energy: 0.577
local terms energy: -283.485666
where:
bonds (distance) C4'-P energy: -51.856
bonds (distance) P-C4' energy: -56.559
flat angles C4'-P-C4' energy: -64.315
flat angles P-C4'-P energy: -35.217
tors. eta vs tors. theta energy: -75.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -812.041138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.041138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.041138 (E_RNA)
where:
Base-Base interactions energy: -556.591
where: short stacking energy: -239.817
Base-Backbone interact. energy: -1.805
local terms energy: -253.645025
where:
bonds (distance) C4'-P energy: -54.732
bonds (distance) P-C4' energy: -55.865
flat angles C4'-P-C4' energy: -50.176
flat angles P-C4'-P energy: -28.367
tors. eta vs tors. theta energy: -64.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -727.325994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.325994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.325994 (E_RNA)
where:
Base-Base interactions energy: -499.409
where: short stacking energy: -204.072
Base-Backbone interact. energy: 0.319
local terms energy: -228.236175
where:
bonds (distance) C4'-P energy: -46.577
bonds (distance) P-C4' energy: -40.937
flat angles C4'-P-C4' energy: -48.428
flat angles P-C4'-P energy: -37.428
tors. eta vs tors. theta energy: -54.865
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: 7
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -677.156516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.156516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.156516 (E_RNA)
where:
Base-Base interactions energy: -445.171
where: short stacking energy: -198.806
Base-Backbone interact. energy: 2.587
local terms energy: -234.572460
where:
bonds (distance) C4'-P energy: -48.075
bonds (distance) P-C4' energy: -41.137
flat angles C4'-P-C4' energy: -51.856
flat angles P-C4'-P energy: -40.468
tors. eta vs tors. theta energy: -53.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -595.102641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.102641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.102641 (E_RNA)
where:
Base-Base interactions energy: -381.641
where: short stacking energy: -164.081
Base-Backbone interact. energy: -0.250
local terms energy: -213.211945
where:
bonds (distance) C4'-P energy: -43.261
bonds (distance) P-C4' energy: -56.469
flat angles C4'-P-C4' energy: -48.121
flat angles P-C4'-P energy: -28.462
tors. eta vs tors. theta energy: -36.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -589.098253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.098253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.098253 (E_RNA)
where:
Base-Base interactions energy: -384.220
where: short stacking energy: -166.260
Base-Backbone interact. energy: -1.757
local terms energy: -203.121838
where:
bonds (distance) C4'-P energy: -43.681
bonds (distance) P-C4' energy: -48.132
flat angles C4'-P-C4' energy: -42.197
flat angles P-C4'-P energy: -28.519
tors. eta vs tors. theta energy: -40.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -357.867995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.867995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.867995 (E_RNA)
where:
Base-Base interactions energy: -188.547
where: short stacking energy: -109.044
Base-Backbone interact. energy: -0.711
local terms energy: -168.610708
where:
bonds (distance) C4'-P energy: -47.637
bonds (distance) P-C4' energy: -43.646
flat angles C4'-P-C4' energy: -42.579
flat angles P-C4'-P energy: -16.325
tors. eta vs tors. theta energy: -18.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -313.903527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.903527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.903527 (E_RNA)
where:
Base-Base interactions energy: -144.759
where: short stacking energy: -73.780
Base-Backbone interact. energy: -1.917
local terms energy: -167.227466
where:
bonds (distance) C4'-P energy: -51.706
bonds (distance) P-C4' energy: -49.949
flat angles C4'-P-C4' energy: -33.710
flat angles P-C4'-P energy: -21.008
tors. eta vs tors. theta energy: -10.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -914.053880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.053880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.053880 (E_RNA)
where:
Base-Base interactions energy: -611.855
where: short stacking energy: -285.161
Base-Backbone interact. energy: -0.862
local terms energy: -301.336150
where:
bonds (distance) C4'-P energy: -50.281
bonds (distance) P-C4' energy: -60.125
flat angles C4'-P-C4' energy: -60.929
flat angles P-C4'-P energy: -43.492
tors. eta vs tors. theta energy: -86.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -871.695401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.695401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.695401 (E_RNA)
where:
Base-Base interactions energy: -609.608
where: short stacking energy: -277.343
Base-Backbone interact. energy: -1.400
local terms energy: -260.687273
where:
bonds (distance) C4'-P energy: -46.788
bonds (distance) P-C4' energy: -53.739
flat angles C4'-P-C4' energy: -51.808
flat angles P-C4'-P energy: -36.632
tors. eta vs tors. theta energy: -71.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -865.275872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.275872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.275872 (E_RNA)
where:
Base-Base interactions energy: -595.141
where: short stacking energy: -259.995
Base-Backbone interact. energy: -1.237
local terms energy: -268.898201
where:
bonds (distance) C4'-P energy: -52.406
bonds (distance) P-C4' energy: -49.428
flat angles C4'-P-C4' energy: -54.361
flat angles P-C4'-P energy: -47.213
tors. eta vs tors. theta energy: -65.491
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: 3
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -808.212875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.212875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.212875 (E_RNA)
where:
Base-Base interactions energy: -569.611
where: short stacking energy: -241.248
Base-Backbone interact. energy: -0.043
local terms energy: -238.558839
where:
bonds (distance) C4'-P energy: -40.575
bonds (distance) P-C4' energy: -52.676
flat angles C4'-P-C4' energy: -56.729
flat angles P-C4'-P energy: -29.413
tors. eta vs tors. theta energy: -59.167
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: 5, replica: 1
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -719.572658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.572658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.572658 (E_RNA)
where:
Base-Base interactions energy: -487.765
where: short stacking energy: -211.024
Base-Backbone interact. energy: -1.398
local terms energy: -230.409618
where:
bonds (distance) C4'-P energy: -50.015
bonds (distance) P-C4' energy: -51.981
flat angles C4'-P-C4' energy: -48.663
flat angles P-C4'-P energy: -30.325
tors. eta vs tors. theta energy: -49.425
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: 6, replica: 7
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -680.049668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.049668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.049668 (E_RNA)
where:
Base-Base interactions energy: -436.961
where: short stacking energy: -204.762
Base-Backbone interact. energy: -2.237
local terms energy: -240.851500
where:
bonds (distance) C4'-P energy: -44.011
bonds (distance) P-C4' energy: -51.465
flat angles C4'-P-C4' energy: -52.760
flat angles P-C4'-P energy: -37.389
tors. eta vs tors. theta energy: -55.227
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: 7, replica: 8
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -606.507243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.507243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.507243 (E_RNA)
where:
Base-Base interactions energy: -402.945
where: short stacking energy: -170.257
Base-Backbone interact. energy: -1.455
local terms energy: -202.107126
where:
bonds (distance) C4'-P energy: -45.114
bonds (distance) P-C4' energy: -50.425
flat angles C4'-P-C4' energy: -48.264
flat angles P-C4'-P energy: -19.183
tors. eta vs tors. theta energy: -39.122
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: 6
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -566.162602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.162602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.162602 (E_RNA)
where:
Base-Base interactions energy: -357.502
where: short stacking energy: -151.912
Base-Backbone interact. energy: 0.003
local terms energy: -208.663498
where:
bonds (distance) C4'-P energy: -44.357
bonds (distance) P-C4' energy: -48.760
flat angles C4'-P-C4' energy: -49.902
flat angles P-C4'-P energy: -34.335
tors. eta vs tors. theta energy: -31.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -350.889950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.889950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.889950 (E_RNA)
where:
Base-Base interactions energy: -198.850
where: short stacking energy: -108.601
Base-Backbone interact. energy: -1.184
local terms energy: -150.856493
where:
bonds (distance) C4'-P energy: -37.074
bonds (distance) P-C4' energy: -43.956
flat angles C4'-P-C4' energy: -29.405
flat angles P-C4'-P energy: -27.883
tors. eta vs tors. theta energy: -12.540
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: 10
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -311.166902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.166902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.166902 (E_RNA)
where:
Base-Base interactions energy: -150.381
where: short stacking energy: -95.387
Base-Backbone interact. energy: -2.202
local terms energy: -158.582929
where:
bonds (distance) C4'-P energy: -45.257
bonds (distance) P-C4' energy: -47.951
flat angles C4'-P-C4' energy: -36.670
flat angles P-C4'-P energy: -31.978
tors. eta vs tors. theta energy: 3.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -917.195491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.195491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.195491 (E_RNA)
where:
Base-Base interactions energy: -624.497
where: short stacking energy: -277.509
Base-Backbone interact. energy: -2.045
local terms energy: -290.653450
where:
bonds (distance) C4'-P energy: -47.808
bonds (distance) P-C4' energy: -52.365
flat angles C4'-P-C4' energy: -65.828
flat angles P-C4'-P energy: -45.114
tors. eta vs tors. theta energy: -79.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -873.820491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.820491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.820491 (E_RNA)
where:
Base-Base interactions energy: -605.095
where: short stacking energy: -270.659
Base-Backbone interact. energy: -1.472
local terms energy: -267.253183
where:
bonds (distance) C4'-P energy: -42.600
bonds (distance) P-C4' energy: -57.362
flat angles C4'-P-C4' energy: -58.741
flat angles P-C4'-P energy: -38.129
tors. eta vs tors. theta energy: -70.421
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: 396
Temperature: 1.000000
Total energy: -868.223824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.223824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.223824 (E_RNA)
where:
Base-Base interactions energy: -585.276
where: short stacking energy: -257.891
Base-Backbone interact. energy: -1.642
local terms energy: -281.305907
where:
bonds (distance) C4'-P energy: -53.963
bonds (distance) P-C4' energy: -58.650
flat angles C4'-P-C4' energy: -64.920
flat angles P-C4'-P energy: -41.762
tors. eta vs tors. theta energy: -62.011
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: 3
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -781.615220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.615220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.615220 (E_RNA)
where:
Base-Base interactions energy: -549.607
where: short stacking energy: -234.336
Base-Backbone interact. energy: 1.300
local terms energy: -233.307657
where:
bonds (distance) C4'-P energy: -48.868
bonds (distance) P-C4' energy: -47.103
flat angles C4'-P-C4' energy: -48.177
flat angles P-C4'-P energy: -36.307
tors. eta vs tors. theta energy: -52.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -726.326926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.326926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.326926 (E_RNA)
where:
Base-Base interactions energy: -478.683
where: short stacking energy: -219.854
Base-Backbone interact. energy: -0.673
local terms energy: -246.970883
where:
bonds (distance) C4'-P energy: -47.716
bonds (distance) P-C4' energy: -46.300
flat angles C4'-P-C4' energy: -54.831
flat angles P-C4'-P energy: -38.203
tors. eta vs tors. theta energy: -59.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -671.272972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.272972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.272972 (E_RNA)
where:
Base-Base interactions energy: -447.920
where: short stacking energy: -193.700
Base-Backbone interact. energy: -0.318
local terms energy: -223.034489
where:
bonds (distance) C4'-P energy: -46.736
bonds (distance) P-C4' energy: -46.260
flat angles C4'-P-C4' energy: -49.142
flat angles P-C4'-P energy: -34.575
tors. eta vs tors. theta energy: -46.321
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: 6
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -619.386437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.386437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.386437 (E_RNA)
where:
Base-Base interactions energy: -409.612
where: short stacking energy: -192.645
Base-Backbone interact. energy: 0.078
local terms energy: -209.852719
where:
bonds (distance) C4'-P energy: -36.737
bonds (distance) P-C4' energy: -50.054
flat angles C4'-P-C4' energy: -43.501
flat angles P-C4'-P energy: -38.124
tors. eta vs tors. theta energy: -41.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -563.141718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.141718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.141718 (E_RNA)
where:
Base-Base interactions energy: -367.905
where: short stacking energy: -180.929
Base-Backbone interact. energy: 2.015
local terms energy: -197.251160
where:
bonds (distance) C4'-P energy: -45.355
bonds (distance) P-C4' energy: -49.352
flat angles C4'-P-C4' energy: -37.940
flat angles P-C4'-P energy: -27.665
tors. eta vs tors. theta energy: -36.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -336.151922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.151922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.151922 (E_RNA)
where:
Base-Base interactions energy: -169.040
where: short stacking energy: -99.519
Base-Backbone interact. energy: -1.279
local terms energy: -165.832625
where:
bonds (distance) C4'-P energy: -47.483
bonds (distance) P-C4' energy: -42.655
flat angles C4'-P-C4' energy: -40.648
flat angles P-C4'-P energy: -21.428
tors. eta vs tors. theta energy: -13.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -303.022151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.022151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.022151 (E_RNA)
where:
Base-Base interactions energy: -165.786
where: short stacking energy: -89.073
Base-Backbone interact. energy: -1.364
local terms energy: -135.872151
where:
bonds (distance) C4'-P energy: -45.623
bonds (distance) P-C4' energy: -47.227
flat angles C4'-P-C4' energy: -27.927
flat angles P-C4'-P energy: -14.636
tors. eta vs tors. theta energy: -0.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -911.012870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.012870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.012870 (E_RNA)
where:
Base-Base interactions energy: -619.874
where: short stacking energy: -274.308
Base-Backbone interact. energy: -0.892
local terms energy: -290.246019
where:
bonds (distance) C4'-P energy: -54.424
bonds (distance) P-C4' energy: -56.800
flat angles C4'-P-C4' energy: -62.762
flat angles P-C4'-P energy: -41.034
tors. eta vs tors. theta energy: -75.227
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: 4
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -868.990801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.990801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.990801 (E_RNA)
where:
Base-Base interactions energy: -592.873
where: short stacking energy: -257.959
Base-Backbone interact. energy: -2.734
local terms energy: -273.383568
where:
bonds (distance) C4'-P energy: -52.306
bonds (distance) P-C4' energy: -60.092
flat angles C4'-P-C4' energy: -57.413
flat angles P-C4'-P energy: -33.858
tors. eta vs tors. theta energy: -69.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -846.218583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.218583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.218583 (E_RNA)
where:
Base-Base interactions energy: -585.007
where: short stacking energy: -249.337
Base-Backbone interact. energy: 2.322
local terms energy: -263.533267
where:
bonds (distance) C4'-P energy: -51.186
bonds (distance) P-C4' energy: -48.900
flat angles C4'-P-C4' energy: -62.015
flat angles P-C4'-P energy: -43.556
tors. eta vs tors. theta energy: -57.877
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: 3
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -780.442572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.442572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.442572 (E_RNA)
where:
Base-Base interactions energy: -535.723
where: short stacking energy: -225.938
Base-Backbone interact. energy: -1.266
local terms energy: -243.454067
where:
bonds (distance) C4'-P energy: -51.604
bonds (distance) P-C4' energy: -55.634
flat angles C4'-P-C4' energy: -55.731
flat angles P-C4'-P energy: -26.446
tors. eta vs tors. theta energy: -54.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -731.145908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.145908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.145908 (E_RNA)
where:
Base-Base interactions energy: -481.181
where: short stacking energy: -211.702
Base-Backbone interact. energy: -0.429
local terms energy: -249.536634
where:
bonds (distance) C4'-P energy: -48.094
bonds (distance) P-C4' energy: -56.323
flat angles C4'-P-C4' energy: -54.337
flat angles P-C4'-P energy: -33.006
tors. eta vs tors. theta energy: -57.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -675.925429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.925429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.925429 (E_RNA)
where:
Base-Base interactions energy: -452.750
where: short stacking energy: -210.667
Base-Backbone interact. energy: -0.273
local terms energy: -222.902962
where:
bonds (distance) C4'-P energy: -41.603
bonds (distance) P-C4' energy: -50.953
flat angles C4'-P-C4' energy: -48.124
flat angles P-C4'-P energy: -26.367
tors. eta vs tors. theta energy: -55.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -612.221443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.221443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.221443 (E_RNA)
where:
Base-Base interactions energy: -400.539
where: short stacking energy: -178.985
Base-Backbone interact. energy: -1.156
local terms energy: -210.526496
where:
bonds (distance) C4'-P energy: -41.612
bonds (distance) P-C4' energy: -54.792
flat angles C4'-P-C4' energy: -42.300
flat angles P-C4'-P energy: -25.647
tors. eta vs tors. theta energy: -46.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -582.577031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.577031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.577031 (E_RNA)
where:
Base-Base interactions energy: -369.772
where: short stacking energy: -160.124
Base-Backbone interact. energy: 0.890
local terms energy: -213.695002
where:
bonds (distance) C4'-P energy: -51.863
bonds (distance) P-C4' energy: -52.777
flat angles C4'-P-C4' energy: -40.897
flat angles P-C4'-P energy: -33.803
tors. eta vs tors. theta energy: -34.354
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: 10
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -336.788573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.788573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.788573 (E_RNA)
where:
Base-Base interactions energy: -191.699
where: short stacking energy: -97.967
Base-Backbone interact. energy: -0.423
local terms energy: -144.667282
where:
bonds (distance) C4'-P energy: -45.486
bonds (distance) P-C4' energy: -38.568
flat angles C4'-P-C4' energy: -33.959
flat angles P-C4'-P energy: -21.887
tors. eta vs tors. theta energy: -4.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -286.208074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.208074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.208074 (E_RNA)
where:
Base-Base interactions energy: -126.259
where: short stacking energy: -80.164
Base-Backbone interact. energy: -0.879
local terms energy: -159.070031
where:
bonds (distance) C4'-P energy: -49.971
bonds (distance) P-C4' energy: -45.125
flat angles C4'-P-C4' energy: -42.182
flat angles P-C4'-P energy: -15.875
tors. eta vs tors. theta energy: -5.917
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: 398
Temperature: 0.900000
Total energy: -900.825227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.825227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.825227 (E_RNA)
where:
Base-Base interactions energy: -612.332
where: short stacking energy: -282.130
Base-Backbone interact. energy: -1.901
local terms energy: -286.591981
where:
bonds (distance) C4'-P energy: -51.784
bonds (distance) P-C4' energy: -59.788
flat angles C4'-P-C4' energy: -53.518
flat angles P-C4'-P energy: -35.038
tors. eta vs tors. theta energy: -86.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -876.249928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.249928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.249928 (E_RNA)
where:
Base-Base interactions energy: -606.811
where: short stacking energy: -248.463
Base-Backbone interact. energy: -0.987
local terms energy: -268.451948
where:
bonds (distance) C4'-P energy: -51.629
bonds (distance) P-C4' energy: -53.235
flat angles C4'-P-C4' energy: -51.877
flat angles P-C4'-P energy: -39.414
tors. eta vs tors. theta energy: -72.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -820.686279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.686279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.686279 (E_RNA)
where:
Base-Base interactions energy: -572.299
where: short stacking energy: -228.923
Base-Backbone interact. energy: -1.647
local terms energy: -246.739426
where:
bonds (distance) C4'-P energy: -49.239
bonds (distance) P-C4' energy: -48.075
flat angles C4'-P-C4' energy: -51.824
flat angles P-C4'-P energy: -39.738
tors. eta vs tors. theta energy: -57.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -778.058089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.058089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.058089 (E_RNA)
where:
Base-Base interactions energy: -536.432
where: short stacking energy: -237.135
Base-Backbone interact. energy: -1.074
local terms energy: -240.552771
where:
bonds (distance) C4'-P energy: -49.390
bonds (distance) P-C4' energy: -40.335
flat angles C4'-P-C4' energy: -53.340
flat angles P-C4'-P energy: -40.557
tors. eta vs tors. theta energy: -56.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -740.343512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.343512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.343512 (E_RNA)
where:
Base-Base interactions energy: -501.461
where: short stacking energy: -219.283
Base-Backbone interact. energy: -1.299
local terms energy: -237.583606
where:
bonds (distance) C4'-P energy: -50.393
bonds (distance) P-C4' energy: -48.730
flat angles C4'-P-C4' energy: -55.910
flat angles P-C4'-P energy: -32.350
tors. eta vs tors. theta energy: -50.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -667.517976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.517976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.517976 (E_RNA)
where:
Base-Base interactions energy: -449.008
where: short stacking energy: -197.917
Base-Backbone interact. energy: -0.918
local terms energy: -217.592228
where:
bonds (distance) C4'-P energy: -42.698
bonds (distance) P-C4' energy: -46.716
flat angles C4'-P-C4' energy: -55.745
flat angles P-C4'-P energy: -31.406
tors. eta vs tors. theta energy: -41.027
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: 7, replica: 6
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -613.094541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.094541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.094541 (E_RNA)
where:
Base-Base interactions energy: -393.574
where: short stacking energy: -184.772
Base-Backbone interact. energy: 0.531
local terms energy: -220.051646
where:
bonds (distance) C4'-P energy: -45.958
bonds (distance) P-C4' energy: -53.217
flat angles C4'-P-C4' energy: -51.623
flat angles P-C4'-P energy: -23.537
tors. eta vs tors. theta energy: -45.717
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: 8, replica: 8
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -573.349470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.349470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.349470 (E_RNA)
where:
Base-Base interactions energy: -371.784
where: short stacking energy: -171.137
Base-Backbone interact. energy: -1.110
local terms energy: -200.454892
where:
bonds (distance) C4'-P energy: -51.598
bonds (distance) P-C4' energy: -43.719
flat angles C4'-P-C4' energy: -37.723
flat angles P-C4'-P energy: -33.684
tors. eta vs tors. theta energy: -33.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -343.978562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.978562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.978562 (E_RNA)
where:
Base-Base interactions energy: -180.067
where: short stacking energy: -106.201
Base-Backbone interact. energy: -0.720
local terms energy: -163.191035
where:
bonds (distance) C4'-P energy: -33.168
bonds (distance) P-C4' energy: -33.869
flat angles C4'-P-C4' energy: -47.471
flat angles P-C4'-P energy: -36.960
tors. eta vs tors. theta energy: -11.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -300.845244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.845244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.845244 (E_RNA)
where:
Base-Base interactions energy: -153.505
where: short stacking energy: -84.298
Base-Backbone interact. energy: -3.244
local terms energy: -144.096365
where:
bonds (distance) C4'-P energy: -46.227
bonds (distance) P-C4' energy: -42.827
flat angles C4'-P-C4' energy: -40.414
flat angles P-C4'-P energy: -16.033
tors. eta vs tors. theta energy: 1.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -905.649405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.649405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.649405 (E_RNA)
where:
Base-Base interactions energy: -626.219
where: short stacking energy: -272.714
Base-Backbone interact. energy: -0.558
local terms energy: -278.872922
where:
bonds (distance) C4'-P energy: -45.012
bonds (distance) P-C4' energy: -55.836
flat angles C4'-P-C4' energy: -56.051
flat angles P-C4'-P energy: -37.299
tors. eta vs tors. theta energy: -84.675
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: 4
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -864.575424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.575424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.575424 (E_RNA)
where:
Base-Base interactions energy: -597.431
where: short stacking energy: -240.572
Base-Backbone interact. energy: 0.599
local terms energy: -267.743612
where:
bonds (distance) C4'-P energy: -54.898
bonds (distance) P-C4' energy: -50.859
flat angles C4'-P-C4' energy: -56.639
flat angles P-C4'-P energy: -37.243
tors. eta vs tors. theta energy: -68.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -809.474565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.474565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.474565 (E_RNA)
where:
Base-Base interactions energy: -555.897
where: short stacking energy: -244.364
Base-Backbone interact. energy: -0.919
local terms energy: -252.658599
where:
bonds (distance) C4'-P energy: -49.489
bonds (distance) P-C4' energy: -42.377
flat angles C4'-P-C4' energy: -56.790
flat angles P-C4'-P energy: -38.642
tors. eta vs tors. theta energy: -65.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -775.212440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.212440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.212440 (E_RNA)
where:
Base-Base interactions energy: -535.688
where: short stacking energy: -231.467
Base-Backbone interact. energy: 2.643
local terms energy: -242.167142
where:
bonds (distance) C4'-P energy: -51.090
bonds (distance) P-C4' energy: -46.141
flat angles C4'-P-C4' energy: -53.229
flat angles P-C4'-P energy: -34.170
tors. eta vs tors. theta energy: -57.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -723.352623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.352623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.352623 (E_RNA)
where:
Base-Base interactions energy: -475.768
where: short stacking energy: -211.180
Base-Backbone interact. energy: -0.693
local terms energy: -246.892481
where:
bonds (distance) C4'-P energy: -44.523
bonds (distance) P-C4' energy: -60.349
flat angles C4'-P-C4' energy: -56.219
flat angles P-C4'-P energy: -28.654
tors. eta vs tors. theta energy: -57.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -620.706086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.706086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.706086 (E_RNA)
where:
Base-Base interactions energy: -413.989
where: short stacking energy: -185.000
Base-Backbone interact. energy: -0.215
local terms energy: -206.502314
where:
bonds (distance) C4'-P energy: -44.601
bonds (distance) P-C4' energy: -39.295
flat angles C4'-P-C4' energy: -55.267
flat angles P-C4'-P energy: -20.135
tors. eta vs tors. theta energy: -47.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -637.047044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.047044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.047044 (E_RNA)
where:
Base-Base interactions energy: -416.414
where: short stacking energy: -191.096
Base-Backbone interact. energy: -0.419
local terms energy: -220.214256
where:
bonds (distance) C4'-P energy: -36.437
bonds (distance) P-C4' energy: -48.952
flat angles C4'-P-C4' energy: -49.279
flat angles P-C4'-P energy: -44.000
tors. eta vs tors. theta energy: -41.547
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: 8
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -578.853474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.853474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.853474 (E_RNA)
where:
Base-Base interactions energy: -367.855
where: short stacking energy: -170.572
Base-Backbone interact. energy: 0.547
local terms energy: -211.546021
where:
bonds (distance) C4'-P energy: -44.184
bonds (distance) P-C4' energy: -54.988
flat angles C4'-P-C4' energy: -46.787
flat angles P-C4'-P energy: -24.051
tors. eta vs tors. theta energy: -41.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -339.019846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.019846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.019846 (E_RNA)
where:
Base-Base interactions energy: -187.935
where: short stacking energy: -92.113
Base-Backbone interact. energy: -2.527
local terms energy: -148.557882
where:
bonds (distance) C4'-P energy: -36.507
bonds (distance) P-C4' energy: -48.181
flat angles C4'-P-C4' energy: -42.016
flat angles P-C4'-P energy: -13.094
tors. eta vs tors. theta energy: -8.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -293.138013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.138013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.138013 (E_RNA)
where:
Base-Base interactions energy: -147.568
where: short stacking energy: -96.874
Base-Backbone interact. energy: -0.687
local terms energy: -144.882967
where:
bonds (distance) C4'-P energy: -40.368
bonds (distance) P-C4' energy: -34.707
flat angles C4'-P-C4' energy: -42.084
flat angles P-C4'-P energy: -30.348
tors. eta vs tors. theta energy: 2.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -912.792866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.792866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.792866 (E_RNA)
where:
Base-Base interactions energy: -609.278
where: short stacking energy: -266.623
Base-Backbone interact. energy: -2.264
local terms energy: -301.251086
where:
bonds (distance) C4'-P energy: -53.821
bonds (distance) P-C4' energy: -60.695
flat angles C4'-P-C4' energy: -59.504
flat angles P-C4'-P energy: -46.377
tors. eta vs tors. theta energy: -80.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -892.756523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.756523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.756523 (E_RNA)
where:
Base-Base interactions energy: -614.767
where: short stacking energy: -256.795
Base-Backbone interact. energy: 0.681
local terms energy: -278.670449
where:
bonds (distance) C4'-P energy: -56.310
bonds (distance) P-C4' energy: -52.167
flat angles C4'-P-C4' energy: -57.360
flat angles P-C4'-P energy: -40.395
tors. eta vs tors. theta energy: -72.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -836.715583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.715583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.715583 (E_RNA)
where:
Base-Base interactions energy: -580.601
where: short stacking energy: -244.451
Base-Backbone interact. energy: -0.335
local terms energy: -255.780417
where:
bonds (distance) C4'-P energy: -57.047
bonds (distance) P-C4' energy: -46.471
flat angles C4'-P-C4' energy: -49.204
flat angles P-C4'-P energy: -37.401
tors. eta vs tors. theta energy: -65.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -792.861586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.861586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.861586 (E_RNA)
where:
Base-Base interactions energy: -532.227
where: short stacking energy: -227.049
Base-Backbone interact. energy: -0.744
local terms energy: -259.889874
where:
bonds (distance) C4'-P energy: -49.115
bonds (distance) P-C4' energy: -49.256
flat angles C4'-P-C4' energy: -57.189
flat angles P-C4'-P energy: -39.827
tors. eta vs tors. theta energy: -64.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -699.246010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.246010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.246010 (E_RNA)
where:
Base-Base interactions energy: -465.497
where: short stacking energy: -213.130
Base-Backbone interact. energy: 2.597
local terms energy: -236.346189
where:
bonds (distance) C4'-P energy: -45.201
bonds (distance) P-C4' energy: -50.062
flat angles C4'-P-C4' energy: -50.719
flat angles P-C4'-P energy: -33.619
tors. eta vs tors. theta energy: -56.745
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: 6, replica: 6
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -637.537656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.537656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.537656 (E_RNA)
where:
Base-Base interactions energy: -394.379
where: short stacking energy: -169.781
Base-Backbone interact. energy: -1.505
local terms energy: -241.653011
where:
bonds (distance) C4'-P energy: -52.806
bonds (distance) P-C4' energy: -51.349
flat angles C4'-P-C4' energy: -56.767
flat angles P-C4'-P energy: -37.846
tors. eta vs tors. theta energy: -42.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -613.225898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.225898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.225898 (E_RNA)
where:
Base-Base interactions energy: -411.472
where: short stacking energy: -195.145
Base-Backbone interact. energy: -2.144
local terms energy: -199.609950
where:
bonds (distance) C4'-P energy: -45.383
bonds (distance) P-C4' energy: -50.641
flat angles C4'-P-C4' energy: -38.562
flat angles P-C4'-P energy: -24.560
tors. eta vs tors. theta energy: -40.464
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: 7
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -568.803387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.803387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.803387 (E_RNA)
where:
Base-Base interactions energy: -372.905
where: short stacking energy: -151.703
Base-Backbone interact. energy: -1.729
local terms energy: -194.169053
where:
bonds (distance) C4'-P energy: -46.973
bonds (distance) P-C4' energy: -36.575
flat angles C4'-P-C4' energy: -46.844
flat angles P-C4'-P energy: -26.578
tors. eta vs tors. theta energy: -37.199
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: 10
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -343.559133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.559133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.559133 (E_RNA)
where:
Base-Base interactions energy: -190.813
where: short stacking energy: -107.653
Base-Backbone interact. energy: 0.348
local terms energy: -153.094437
where:
bonds (distance) C4'-P energy: -32.605
bonds (distance) P-C4' energy: -35.758
flat angles C4'-P-C4' energy: -35.923
flat angles P-C4'-P energy: -28.033
tors. eta vs tors. theta energy: -20.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -279.885571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.885571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.885571 (E_RNA)
where:
Base-Base interactions energy: -119.204
where: short stacking energy: -73.230
Base-Backbone interact. energy: 1.705
local terms energy: -162.386991
where:
bonds (distance) C4'-P energy: -39.416
bonds (distance) P-C4' energy: -50.132
flat angles C4'-P-C4' energy: -41.059
flat angles P-C4'-P energy: -24.277
tors. eta vs tors. theta energy: -7.502
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: 401
Temperature: 0.900000
Total energy: -906.258825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.258825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.258825 (E_RNA)
where:
Base-Base interactions energy: -605.762
where: short stacking energy: -277.887
Base-Backbone interact. energy: -0.974
local terms energy: -299.522886
where:
bonds (distance) C4'-P energy: -53.485
bonds (distance) P-C4' energy: -56.456
flat angles C4'-P-C4' energy: -60.463
flat angles P-C4'-P energy: -45.820
tors. eta vs tors. theta energy: -83.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -860.211324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.211324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.211324 (E_RNA)
where:
Base-Base interactions energy: -595.613
where: short stacking energy: -260.061
Base-Backbone interact. energy: 0.671
local terms energy: -265.269311
where:
bonds (distance) C4'-P energy: -43.307
bonds (distance) P-C4' energy: -54.255
flat angles C4'-P-C4' energy: -59.079
flat angles P-C4'-P energy: -44.365
tors. eta vs tors. theta energy: -64.263
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: 4
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -853.950442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.950442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.950442 (E_RNA)
where:
Base-Base interactions energy: -588.590
where: short stacking energy: -251.719
Base-Backbone interact. energy: -0.956
local terms energy: -264.405023
where:
bonds (distance) C4'-P energy: -51.033
bonds (distance) P-C4' energy: -55.696
flat angles C4'-P-C4' energy: -57.095
flat angles P-C4'-P energy: -34.740
tors. eta vs tors. theta energy: -65.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -774.588043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.588043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.588043 (E_RNA)
where:
Base-Base interactions energy: -531.885
where: short stacking energy: -228.261
Base-Backbone interact. energy: -1.796
local terms energy: -240.906849
where:
bonds (distance) C4'-P energy: -32.442
bonds (distance) P-C4' energy: -53.143
flat angles C4'-P-C4' energy: -58.263
flat angles P-C4'-P energy: -36.524
tors. eta vs tors. theta energy: -60.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -726.561215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.561215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.561215 (E_RNA)
where:
Base-Base interactions energy: -488.430
where: short stacking energy: -224.749
Base-Backbone interact. energy: -0.768
local terms energy: -237.363384
where:
bonds (distance) C4'-P energy: -46.148
bonds (distance) P-C4' energy: -47.396
flat angles C4'-P-C4' energy: -51.908
flat angles P-C4'-P energy: -33.936
tors. eta vs tors. theta energy: -57.975
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: 6, replica: 6
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -626.072283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.072283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.072283 (E_RNA)
where:
Base-Base interactions energy: -409.588
where: short stacking energy: -178.402
Base-Backbone interact. energy: -1.159
local terms energy: -215.325332
where:
bonds (distance) C4'-P energy: -42.313
bonds (distance) P-C4' energy: -46.098
flat angles C4'-P-C4' energy: -47.219
flat angles P-C4'-P energy: -34.377
tors. eta vs tors. theta energy: -45.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -604.001325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.001325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.001325 (E_RNA)
where:
Base-Base interactions energy: -399.915
where: short stacking energy: -196.525
Base-Backbone interact. energy: -2.892
local terms energy: -201.194279
where:
bonds (distance) C4'-P energy: -39.853
bonds (distance) P-C4' energy: -42.424
flat angles C4'-P-C4' energy: -42.304
flat angles P-C4'-P energy: -30.163
tors. eta vs tors. theta energy: -46.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -558.554899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.554899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.554899 (E_RNA)
where:
Base-Base interactions energy: -372.772
where: short stacking energy: -152.144
Base-Backbone interact. energy: 1.562
local terms energy: -187.345339
where:
bonds (distance) C4'-P energy: -41.966
bonds (distance) P-C4' energy: -38.492
flat angles C4'-P-C4' energy: -50.745
flat angles P-C4'-P energy: -19.950
tors. eta vs tors. theta energy: -36.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -336.246921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.246921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.246921 (E_RNA)
where:
Base-Base interactions energy: -153.332
where: short stacking energy: -89.382
Base-Backbone interact. energy: 0.803
local terms energy: -183.718875
where:
bonds (distance) C4'-P energy: -56.382
bonds (distance) P-C4' energy: -48.846
flat angles C4'-P-C4' energy: -41.465
flat angles P-C4'-P energy: -19.073
tors. eta vs tors. theta energy: -17.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -274.528975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.528975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.528975 (E_RNA)
where:
Base-Base interactions energy: -138.194
where: short stacking energy: -78.312
Base-Backbone interact. energy: -1.544
local terms energy: -134.791398
where:
bonds (distance) C4'-P energy: -48.877
bonds (distance) P-C4' energy: -46.381
flat angles C4'-P-C4' energy: -30.399
flat angles P-C4'-P energy: -20.889
tors. eta vs tors. theta energy: 11.754
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: 1, replica: 2
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -904.494006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.494006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.494006 (E_RNA)
where:
Base-Base interactions energy: -623.665
where: short stacking energy: -273.870
Base-Backbone interact. energy: -0.017
local terms energy: -280.812698
where:
bonds (distance) C4'-P energy: -47.864
bonds (distance) P-C4' energy: -61.220
flat angles C4'-P-C4' energy: -55.466
flat angles P-C4'-P energy: -36.761
tors. eta vs tors. theta energy: -79.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -846.532497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.532497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.532497 (E_RNA)
where:
Base-Base interactions energy: -582.495
where: short stacking energy: -248.148
Base-Backbone interact. energy: -0.357
local terms energy: -263.680043
where:
bonds (distance) C4'-P energy: -45.492
bonds (distance) P-C4' energy: -52.911
flat angles C4'-P-C4' energy: -56.854
flat angles P-C4'-P energy: -42.281
tors. eta vs tors. theta energy: -66.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -865.611086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.611086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.611086 (E_RNA)
where:
Base-Base interactions energy: -604.912
where: short stacking energy: -262.002
Base-Backbone interact. energy: -0.650
local terms energy: -260.048811
where:
bonds (distance) C4'-P energy: -42.547
bonds (distance) P-C4' energy: -54.573
flat angles C4'-P-C4' energy: -60.526
flat angles P-C4'-P energy: -34.929
tors. eta vs tors. theta energy: -67.476
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: 3
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -794.948051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.948051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.948051 (E_RNA)
where:
Base-Base interactions energy: -551.863
where: short stacking energy: -250.403
Base-Backbone interact. energy: 0.407
local terms energy: -243.491961
where:
bonds (distance) C4'-P energy: -51.416
bonds (distance) P-C4' energy: -43.355
flat angles C4'-P-C4' energy: -54.460
flat angles P-C4'-P energy: -27.056
tors. eta vs tors. theta energy: -67.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -728.549921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.549921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.549921 (E_RNA)
where:
Base-Base interactions energy: -491.438
where: short stacking energy: -214.249
Base-Backbone interact. energy: -0.372
local terms energy: -236.739957
where:
bonds (distance) C4'-P energy: -45.108
bonds (distance) P-C4' energy: -55.137
flat angles C4'-P-C4' energy: -52.276
flat angles P-C4'-P energy: -33.790
tors. eta vs tors. theta energy: -50.429
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: 402
Temperature: 1.150000
Total energy: -617.939907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.939907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.939907 (E_RNA)
where:
Base-Base interactions energy: -403.156
where: short stacking energy: -184.923
Base-Backbone interact. energy: 0.617
local terms energy: -215.401064
where:
bonds (distance) C4'-P energy: -41.265
bonds (distance) P-C4' energy: -45.352
flat angles C4'-P-C4' energy: -51.761
flat angles P-C4'-P energy: -29.991
tors. eta vs tors. theta energy: -47.032
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: 8
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -612.972913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.972913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.972913 (E_RNA)
where:
Base-Base interactions energy: -409.642
where: short stacking energy: -164.682
Base-Backbone interact. energy: -1.139
local terms energy: -202.191483
where:
bonds (distance) C4'-P energy: -34.518
bonds (distance) P-C4' energy: -57.347
flat angles C4'-P-C4' energy: -50.397
flat angles P-C4'-P energy: -24.921
tors. eta vs tors. theta energy: -35.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -566.566709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.566709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.566709 (E_RNA)
where:
Base-Base interactions energy: -371.442
where: short stacking energy: -162.122
Base-Backbone interact. energy: -1.324
local terms energy: -193.800421
where:
bonds (distance) C4'-P energy: -47.628
bonds (distance) P-C4' energy: -41.664
flat angles C4'-P-C4' energy: -41.923
flat angles P-C4'-P energy: -33.103
tors. eta vs tors. theta energy: -29.482
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: 9
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -314.087583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.087583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.087583 (E_RNA)
where:
Base-Base interactions energy: -164.452
where: short stacking energy: -96.103
Base-Backbone interact. energy: 0.424
local terms energy: -150.058989
where:
bonds (distance) C4'-P energy: -38.808
bonds (distance) P-C4' energy: -39.194
flat angles C4'-P-C4' energy: -38.050
flat angles P-C4'-P energy: -25.399
tors. eta vs tors. theta energy: -8.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -319.012597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.012597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.012597 (E_RNA)
where:
Base-Base interactions energy: -150.056
where: short stacking energy: -80.987
Base-Backbone interact. energy: -1.037
local terms energy: -167.919610
where:
bonds (distance) C4'-P energy: -52.103
bonds (distance) P-C4' energy: -36.851
flat angles C4'-P-C4' energy: -43.543
flat angles P-C4'-P energy: -32.449
tors. eta vs tors. theta energy: -2.974
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: 2
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -898.440245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.440245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.440245 (E_RNA)
where:
Base-Base interactions energy: -614.605
where: short stacking energy: -275.505
Base-Backbone interact. energy: -0.591
local terms energy: -283.243362
where:
bonds (distance) C4'-P energy: -51.512
bonds (distance) P-C4' energy: -57.401
flat angles C4'-P-C4' energy: -54.687
flat angles P-C4'-P energy: -36.570
tors. eta vs tors. theta energy: -83.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -831.304453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.304453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.304453 (E_RNA)
where:
Base-Base interactions energy: -560.397
where: short stacking energy: -251.361
Base-Backbone interact. energy: -0.564
local terms energy: -270.343102
where:
bonds (distance) C4'-P energy: -47.352
bonds (distance) P-C4' energy: -54.753
flat angles C4'-P-C4' energy: -60.850
flat angles P-C4'-P energy: -40.636
tors. eta vs tors. theta energy: -66.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -831.308041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.308041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.308041 (E_RNA)
where:
Base-Base interactions energy: -572.726
where: short stacking energy: -236.300
Base-Backbone interact. energy: -3.344
local terms energy: -255.237950
where:
bonds (distance) C4'-P energy: -51.296
bonds (distance) P-C4' energy: -51.880
flat angles C4'-P-C4' energy: -57.811
flat angles P-C4'-P energy: -35.902
tors. eta vs tors. theta energy: -58.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -828.045266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.045266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.045266 (E_RNA)
where:
Base-Base interactions energy: -578.362
where: short stacking energy: -253.433
Base-Backbone interact. energy: 5.228
local terms energy: -254.911409
where:
bonds (distance) C4'-P energy: -46.337
bonds (distance) P-C4' energy: -52.295
flat angles C4'-P-C4' energy: -54.283
flat angles P-C4'-P energy: -38.257
tors. eta vs tors. theta energy: -63.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -728.150330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.150330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.150330 (E_RNA)
where:
Base-Base interactions energy: -498.785
where: short stacking energy: -217.292
Base-Backbone interact. energy: -0.442
local terms energy: -228.923405
where:
bonds (distance) C4'-P energy: -42.534
bonds (distance) P-C4' energy: -47.042
flat angles C4'-P-C4' energy: -49.046
flat angles P-C4'-P energy: -37.080
tors. eta vs tors. theta energy: -53.222
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: 6
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -601.758492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.758492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.758492 (E_RNA)
where:
Base-Base interactions energy: -388.446
where: short stacking energy: -199.339
Base-Backbone interact. energy: -0.306
local terms energy: -213.006951
where:
bonds (distance) C4'-P energy: -42.805
bonds (distance) P-C4' energy: -48.272
flat angles C4'-P-C4' energy: -43.535
flat angles P-C4'-P energy: -35.554
tors. eta vs tors. theta energy: -42.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -617.034644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.034644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.034644 (E_RNA)
where:
Base-Base interactions energy: -386.696
where: short stacking energy: -176.858
Base-Backbone interact. energy: -0.361
local terms energy: -229.977121
where:
bonds (distance) C4'-P energy: -43.825
bonds (distance) P-C4' energy: -45.163
flat angles C4'-P-C4' energy: -56.996
flat angles P-C4'-P energy: -33.627
tors. eta vs tors. theta energy: -50.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -569.650502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.650502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.650502 (E_RNA)
where:
Base-Base interactions energy: -377.187
where: short stacking energy: -182.999
Base-Backbone interact. energy: -1.469
local terms energy: -190.993808
where:
bonds (distance) C4'-P energy: -39.377
bonds (distance) P-C4' energy: -37.260
flat angles C4'-P-C4' energy: -43.753
flat angles P-C4'-P energy: -28.073
tors. eta vs tors. theta energy: -42.530
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: 403
Temperature: 1.300000
Total energy: -322.132883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.132883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.132883 (E_RNA)
where:
Base-Base interactions energy: -170.931
where: short stacking energy: -93.942
Base-Backbone interact. energy: 0.849
local terms energy: -152.050336
where:
bonds (distance) C4'-P energy: -28.225
bonds (distance) P-C4' energy: -44.023
flat angles C4'-P-C4' energy: -44.510
flat angles P-C4'-P energy: -27.281
tors. eta vs tors. theta energy: -8.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -320.694481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.694481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.694481 (E_RNA)
where:
Base-Base interactions energy: -153.557
where: short stacking energy: -101.857
Base-Backbone interact. energy: 4.468
local terms energy: -171.605888
where:
bonds (distance) C4'-P energy: -40.840
bonds (distance) P-C4' energy: -47.813
flat angles C4'-P-C4' energy: -38.443
flat angles P-C4'-P energy: -25.590
tors. eta vs tors. theta energy: -18.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -910.461875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.461875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.461875 (E_RNA)
where:
Base-Base interactions energy: -605.002
where: short stacking energy: -263.657
Base-Backbone interact. energy: -0.482
local terms energy: -304.977766
where:
bonds (distance) C4'-P energy: -59.809
bonds (distance) P-C4' energy: -59.130
flat angles C4'-P-C4' energy: -55.157
flat angles P-C4'-P energy: -49.078
tors. eta vs tors. theta energy: -81.804
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: 404
Temperature: 0.950000
Total energy: -861.875318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.875318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.875318 (E_RNA)
where:
Base-Base interactions energy: -605.135
where: short stacking energy: -261.194
Base-Backbone interact. energy: 0.258
local terms energy: -256.998721
where:
bonds (distance) C4'-P energy: -50.444
bonds (distance) P-C4' energy: -47.702
flat angles C4'-P-C4' energy: -57.120
flat angles P-C4'-P energy: -32.148
tors. eta vs tors. theta energy: -69.586
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: 404
Temperature: 1.000000
Total energy: -844.205713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.205713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.205713 (E_RNA)
where:
Base-Base interactions energy: -578.159
where: short stacking energy: -241.245
Base-Backbone interact. energy: -2.540
local terms energy: -263.506263
where:
bonds (distance) C4'-P energy: -54.722
bonds (distance) P-C4' energy: -53.193
flat angles C4'-P-C4' energy: -53.743
flat angles P-C4'-P energy: -32.653
tors. eta vs tors. theta energy: -69.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -793.338576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.338576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.338576 (E_RNA)
where:
Base-Base interactions energy: -536.509
where: short stacking energy: -233.345
Base-Backbone interact. energy: -1.016
local terms energy: -255.812851
where:
bonds (distance) C4'-P energy: -53.324
bonds (distance) P-C4' energy: -55.292
flat angles C4'-P-C4' energy: -50.733
flat angles P-C4'-P energy: -31.647
tors. eta vs tors. theta energy: -64.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -705.910688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.910688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.910688 (E_RNA)
where:
Base-Base interactions energy: -452.967
where: short stacking energy: -194.226
Base-Backbone interact. energy: -0.193
local terms energy: -252.751237
where:
bonds (distance) C4'-P energy: -50.614
bonds (distance) P-C4' energy: -55.087
flat angles C4'-P-C4' energy: -59.350
flat angles P-C4'-P energy: -30.174
tors. eta vs tors. theta energy: -57.526
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: 6, replica: 6
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -638.588227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.588227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.588227 (E_RNA)
where:
Base-Base interactions energy: -402.615
where: short stacking energy: -193.983
Base-Backbone interact. energy: -0.355
local terms energy: -235.618640
where:
bonds (distance) C4'-P energy: -46.863
bonds (distance) P-C4' energy: -43.030
flat angles C4'-P-C4' energy: -55.867
flat angles P-C4'-P energy: -41.351
tors. eta vs tors. theta energy: -48.507
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: 7, replica: 8
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -601.837091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.837091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.837091 (E_RNA)
where:
Base-Base interactions energy: -382.396
where: short stacking energy: -178.509
Base-Backbone interact. energy: 1.843
local terms energy: -221.284576
where:
bonds (distance) C4'-P energy: -48.631
bonds (distance) P-C4' energy: -46.415
flat angles C4'-P-C4' energy: -49.406
flat angles P-C4'-P energy: -36.436
tors. eta vs tors. theta energy: -40.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -595.268849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.268849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.268849 (E_RNA)
where:
Base-Base interactions energy: -376.578
where: short stacking energy: -173.762
Base-Backbone interact. energy: -0.328
local terms energy: -218.362597
where:
bonds (distance) C4'-P energy: -42.568
bonds (distance) P-C4' energy: -49.716
flat angles C4'-P-C4' energy: -42.776
flat angles P-C4'-P energy: -37.286
tors. eta vs tors. theta energy: -46.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -316.114622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.114622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.114622 (E_RNA)
where:
Base-Base interactions energy: -152.413
where: short stacking energy: -92.337
Base-Backbone interact. energy: 0.475
local terms energy: -164.176382
where:
bonds (distance) C4'-P energy: -40.589
bonds (distance) P-C4' energy: -45.412
flat angles C4'-P-C4' energy: -42.561
flat angles P-C4'-P energy: -30.637
tors. eta vs tors. theta energy: -4.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -261.852457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.852457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.852457 (E_RNA)
where:
Base-Base interactions energy: -115.889
where: short stacking energy: -77.318
Base-Backbone interact. energy: -0.110
local terms energy: -145.854141
where:
bonds (distance) C4'-P energy: -38.002
bonds (distance) P-C4' energy: -42.889
flat angles C4'-P-C4' energy: -39.202
flat angles P-C4'-P energy: -22.791
tors. eta vs tors. theta energy: -2.970
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: 1, replica: 2
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -898.368455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.368455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.368455 (E_RNA)
where:
Base-Base interactions energy: -606.707
where: short stacking energy: -269.139
Base-Backbone interact. energy: 1.065
local terms energy: -292.725996
where:
bonds (distance) C4'-P energy: -46.304
bonds (distance) P-C4' energy: -54.032
flat angles C4'-P-C4' energy: -67.313
flat angles P-C4'-P energy: -42.113
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: 2, replica: 4
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -855.748918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.748918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.748918 (E_RNA)
where:
Base-Base interactions energy: -588.038
where: short stacking energy: -248.814
Base-Backbone interact. energy: 1.063
local terms energy: -268.773988
where:
bonds (distance) C4'-P energy: -56.442
bonds (distance) P-C4' energy: -55.157
flat angles C4'-P-C4' energy: -52.112
flat angles P-C4'-P energy: -40.800
tors. eta vs tors. theta energy: -64.263
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: 5
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -825.319176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.319176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.319176 (E_RNA)
where:
Base-Base interactions energy: -559.981
where: short stacking energy: -244.640
Base-Backbone interact. energy: -1.421
local terms energy: -263.917133
where:
bonds (distance) C4'-P energy: -46.188
bonds (distance) P-C4' energy: -46.812
flat angles C4'-P-C4' energy: -58.181
flat angles P-C4'-P energy: -46.092
tors. eta vs tors. theta energy: -66.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -809.635939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.635939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.635939 (E_RNA)
where:
Base-Base interactions energy: -564.704
where: short stacking energy: -232.946
Base-Backbone interact. energy: -2.892
local terms energy: -242.039320
where:
bonds (distance) C4'-P energy: -45.345
bonds (distance) P-C4' energy: -50.460
flat angles C4'-P-C4' energy: -53.214
flat angles P-C4'-P energy: -31.746
tors. eta vs tors. theta energy: -61.275
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: 1
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -702.222611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.222611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.222611 (E_RNA)
where:
Base-Base interactions energy: -466.543
where: short stacking energy: -207.659
Base-Backbone interact. energy: 1.420
local terms energy: -237.099287
where:
bonds (distance) C4'-P energy: -49.487
bonds (distance) P-C4' energy: -52.182
flat angles C4'-P-C4' energy: -50.717
flat angles P-C4'-P energy: -41.228
tors. eta vs tors. theta energy: -43.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -638.897677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.897677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.897677 (E_RNA)
where:
Base-Base interactions energy: -413.647
where: short stacking energy: -183.161
Base-Backbone interact. energy: -0.024
local terms energy: -225.226932
where:
bonds (distance) C4'-P energy: -42.695
bonds (distance) P-C4' energy: -49.982
flat angles C4'-P-C4' energy: -54.994
flat angles P-C4'-P energy: -31.806
tors. eta vs tors. theta energy: -45.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -634.742052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.742052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.742052 (E_RNA)
where:
Base-Base interactions energy: -422.579
where: short stacking energy: -202.031
Base-Backbone interact. energy: 0.893
local terms energy: -213.055720
where:
bonds (distance) C4'-P energy: -37.108
bonds (distance) P-C4' energy: -47.947
flat angles C4'-P-C4' energy: -49.144
flat angles P-C4'-P energy: -31.784
tors. eta vs tors. theta energy: -47.073
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: 405
Temperature: 1.250000
Total energy: -590.166744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.166744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.166744 (E_RNA)
where:
Base-Base interactions energy: -386.287
where: short stacking energy: -176.607
Base-Backbone interact. energy: -1.054
local terms energy: -202.825013
where:
bonds (distance) C4'-P energy: -41.478
bonds (distance) P-C4' energy: -50.673
flat angles C4'-P-C4' energy: -39.187
flat angles P-C4'-P energy: -24.399
tors. eta vs tors. theta energy: -47.088
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: 9
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -321.725420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.725420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.725420 (E_RNA)
where:
Base-Base interactions energy: -174.097
where: short stacking energy: -102.504
Base-Backbone interact. energy: 2.386
local terms energy: -150.013985
where:
bonds (distance) C4'-P energy: -39.739
bonds (distance) P-C4' energy: -47.312
flat angles C4'-P-C4' energy: -38.215
flat angles P-C4'-P energy: -25.556
tors. eta vs tors. theta energy: 0.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -235.482939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.482939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.482939 (E_RNA)
where:
Base-Base interactions energy: -83.779
where: short stacking energy: -59.470
Base-Backbone interact. energy: 0.398
local terms energy: -152.102230
where:
bonds (distance) C4'-P energy: -38.229
bonds (distance) P-C4' energy: -52.743
flat angles C4'-P-C4' energy: -38.555
flat angles P-C4'-P energy: -27.647
tors. eta vs tors. theta energy: 5.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -895.904634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.904634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.904634 (E_RNA)
where:
Base-Base interactions energy: -615.219
where: short stacking energy: -263.017
Base-Backbone interact. energy: -1.079
local terms energy: -279.606158
where:
bonds (distance) C4'-P energy: -49.300
bonds (distance) P-C4' energy: -55.547
flat angles C4'-P-C4' energy: -58.349
flat angles P-C4'-P energy: -38.841
tors. eta vs tors. theta energy: -77.569
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: 4
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -841.858234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.858234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.858234 (E_RNA)
where:
Base-Base interactions energy: -602.474
where: short stacking energy: -247.817
Base-Backbone interact. energy: -0.666
local terms energy: -238.718837
where:
bonds (distance) C4'-P energy: -39.020
bonds (distance) P-C4' energy: -52.342
flat angles C4'-P-C4' energy: -50.781
flat angles P-C4'-P energy: -34.907
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: 3, replica: 3
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -851.945480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.945480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.945480 (E_RNA)
where:
Base-Base interactions energy: -593.231
where: short stacking energy: -240.862
Base-Backbone interact. energy: 1.459
local terms energy: -260.174142
where:
bonds (distance) C4'-P energy: -39.356
bonds (distance) P-C4' energy: -54.175
flat angles C4'-P-C4' energy: -58.191
flat angles P-C4'-P energy: -42.496
tors. eta vs tors. theta energy: -65.956
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: 5
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -795.067431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.067431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.067431 (E_RNA)
where:
Base-Base interactions energy: -538.041
where: short stacking energy: -234.880
Base-Backbone interact. energy: 2.281
local terms energy: -259.307240
where:
bonds (distance) C4'-P energy: -52.918
bonds (distance) P-C4' energy: -44.690
flat angles C4'-P-C4' energy: -57.361
flat angles P-C4'-P energy: -42.970
tors. eta vs tors. theta energy: -61.368
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: 5, replica: 6
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -698.509109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.509109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.509109 (E_RNA)
where:
Base-Base interactions energy: -452.297
where: short stacking energy: -209.475
Base-Backbone interact. energy: -0.385
local terms energy: -245.827799
where:
bonds (distance) C4'-P energy: -54.751
bonds (distance) P-C4' energy: -46.904
flat angles C4'-P-C4' energy: -58.971
flat angles P-C4'-P energy: -32.872
tors. eta vs tors. theta energy: -52.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -638.934861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.934861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.934861 (E_RNA)
where:
Base-Base interactions energy: -429.844
where: short stacking energy: -188.389
Base-Backbone interact. energy: -1.238
local terms energy: -207.852360
where:
bonds (distance) C4'-P energy: -53.370
bonds (distance) P-C4' energy: -43.532
flat angles C4'-P-C4' energy: -43.425
flat angles P-C4'-P energy: -28.977
tors. eta vs tors. theta energy: -38.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -599.357369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.357369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.357369 (E_RNA)
where:
Base-Base interactions energy: -378.782
where: short stacking energy: -167.330
Base-Backbone interact. energy: -0.267
local terms energy: -220.307930
where:
bonds (distance) C4'-P energy: -50.031
bonds (distance) P-C4' energy: -45.273
flat angles C4'-P-C4' energy: -51.836
flat angles P-C4'-P energy: -35.623
tors. eta vs tors. theta energy: -37.545
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: 406
Temperature: 1.250000
Total energy: -582.317775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.317775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.317775 (E_RNA)
where:
Base-Base interactions energy: -359.137
where: short stacking energy: -167.316
Base-Backbone interact. energy: -0.758
local terms energy: -222.422754
where:
bonds (distance) C4'-P energy: -46.817
bonds (distance) P-C4' energy: -54.675
flat angles C4'-P-C4' energy: -48.112
flat angles P-C4'-P energy: -30.424
tors. eta vs tors. theta energy: -42.394
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: 9, replica: 10
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -233.463085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.463085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.463085 (E_RNA)
where:
Base-Base interactions energy: -78.488
where: short stacking energy: -73.606
Base-Backbone interact. energy: -0.863
local terms energy: -154.111698
where:
bonds (distance) C4'-P energy: -51.551
bonds (distance) P-C4' energy: -52.297
flat angles C4'-P-C4' energy: -32.845
flat angles P-C4'-P energy: -17.605
tors. eta vs tors. theta energy: 0.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -282.606602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.606602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.606602 (E_RNA)
where:
Base-Base interactions energy: -155.139
where: short stacking energy: -93.870
Base-Backbone interact. energy: -0.759
local terms energy: -126.709062
where:
bonds (distance) C4'-P energy: -36.585
bonds (distance) P-C4' energy: -43.606
flat angles C4'-P-C4' energy: -34.115
flat angles P-C4'-P energy: -16.249
tors. eta vs tors. theta energy: 3.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -904.207814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.207814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.207814 (E_RNA)
where:
Base-Base interactions energy: -617.422
where: short stacking energy: -267.637
Base-Backbone interact. energy: -0.246
local terms energy: -286.539736
where:
bonds (distance) C4'-P energy: -54.248
bonds (distance) P-C4' energy: -51.603
flat angles C4'-P-C4' energy: -62.327
flat angles P-C4'-P energy: -36.701
tors. eta vs tors. theta energy: -81.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -871.015402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.015402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.015402 (E_RNA)
where:
Base-Base interactions energy: -597.295
where: short stacking energy: -247.374
Base-Backbone interact. energy: -2.225
local terms energy: -271.495744
where:
bonds (distance) C4'-P energy: -52.321
bonds (distance) P-C4' energy: -55.304
flat angles C4'-P-C4' energy: -57.476
flat angles P-C4'-P energy: -34.949
tors. eta vs tors. theta energy: -71.446
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: 4
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -821.947630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.947630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.947630 (E_RNA)
where:
Base-Base interactions energy: -567.400
where: short stacking energy: -239.072
Base-Backbone interact. energy: 1.420
local terms energy: -255.967897
where:
bonds (distance) C4'-P energy: -53.811
bonds (distance) P-C4' energy: -48.424
flat angles C4'-P-C4' energy: -60.824
flat angles P-C4'-P energy: -30.949
tors. eta vs tors. theta energy: -61.958
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: 5
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -801.922488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.922488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.922488 (E_RNA)
where:
Base-Base interactions energy: -553.137
where: short stacking energy: -235.293
Base-Backbone interact. energy: -0.270
local terms energy: -248.515432
where:
bonds (distance) C4'-P energy: -49.353
bonds (distance) P-C4' energy: -46.842
flat angles C4'-P-C4' energy: -58.123
flat angles P-C4'-P energy: -27.114
tors. eta vs tors. theta energy: -67.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -665.011623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.011623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.011623 (E_RNA)
where:
Base-Base interactions energy: -440.539
where: short stacking energy: -197.104
Base-Backbone interact. energy: -0.419
local terms energy: -224.053472
where:
bonds (distance) C4'-P energy: -39.727
bonds (distance) P-C4' energy: -48.587
flat angles C4'-P-C4' energy: -52.870
flat angles P-C4'-P energy: -36.778
tors. eta vs tors. theta energy: -46.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -648.318210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.318210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.318210 (E_RNA)
where:
Base-Base interactions energy: -434.371
where: short stacking energy: -188.198
Base-Backbone interact. energy: -1.188
local terms energy: -212.758608
where:
bonds (distance) C4'-P energy: -45.031
bonds (distance) P-C4' energy: -47.769
flat angles C4'-P-C4' energy: -50.010
flat angles P-C4'-P energy: -36.477
tors. eta vs tors. theta energy: -33.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -626.436634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.436634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.436634 (E_RNA)
where:
Base-Base interactions energy: -408.822
where: short stacking energy: -181.065
Base-Backbone interact. energy: -1.985
local terms energy: -215.629734
where:
bonds (distance) C4'-P energy: -48.007
bonds (distance) P-C4' energy: -44.607
flat angles C4'-P-C4' energy: -60.476
flat angles P-C4'-P energy: -26.010
tors. eta vs tors. theta energy: -36.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -581.074079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.074079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.074079 (E_RNA)
where:
Base-Base interactions energy: -381.757
where: short stacking energy: -153.129
Base-Backbone interact. energy: -1.647
local terms energy: -197.670224
where:
bonds (distance) C4'-P energy: -43.627
bonds (distance) P-C4' energy: -47.169
flat angles C4'-P-C4' energy: -43.838
flat angles P-C4'-P energy: -27.908
tors. eta vs tors. theta energy: -35.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -243.608174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.608174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.608174 (E_RNA)
where:
Base-Base interactions energy: -85.172
where: short stacking energy: -65.070
Base-Backbone interact. energy: 0.031
local terms energy: -158.467633
where:
bonds (distance) C4'-P energy: -41.985
bonds (distance) P-C4' energy: -46.639
flat angles C4'-P-C4' energy: -45.017
flat angles P-C4'-P energy: -32.092
tors. eta vs tors. theta energy: 7.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -296.180788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.180788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.180788 (E_RNA)
where:
Base-Base interactions energy: -168.530
where: short stacking energy: -79.396
Base-Backbone interact. energy: 5.710
local terms energy: -133.360396
where:
bonds (distance) C4'-P energy: -41.693
bonds (distance) P-C4' energy: -40.597
flat angles C4'-P-C4' energy: -25.595
flat angles P-C4'-P energy: -27.394
tors. eta vs tors. theta energy: 1.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -903.535528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.535528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.535528 (E_RNA)
where:
Base-Base interactions energy: -619.330
where: short stacking energy: -264.444
Base-Backbone interact. energy: -0.520
local terms energy: -283.685196
where:
bonds (distance) C4'-P energy: -57.858
bonds (distance) P-C4' energy: -54.665
flat angles C4'-P-C4' energy: -58.186
flat angles P-C4'-P energy: -38.901
tors. eta vs tors. theta energy: -74.075
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: 2, replica: 3
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -885.308410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.308410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.308410 (E_RNA)
where:
Base-Base interactions energy: -617.661
where: short stacking energy: -269.116
Base-Backbone interact. energy: -1.559
local terms energy: -266.089173
where:
bonds (distance) C4'-P energy: -48.779
bonds (distance) P-C4' energy: -57.417
flat angles C4'-P-C4' energy: -53.075
flat angles P-C4'-P energy: -30.661
tors. eta vs tors. theta energy: -76.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -818.169403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.169403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.169403 (E_RNA)
where:
Base-Base interactions energy: -567.622
where: short stacking energy: -242.822
Base-Backbone interact. energy: 1.956
local terms energy: -252.503606
where:
bonds (distance) C4'-P energy: -48.759
bonds (distance) P-C4' energy: -51.763
flat angles C4'-P-C4' energy: -60.162
flat angles P-C4'-P energy: -28.379
tors. eta vs tors. theta energy: -63.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -811.740971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.740971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.740971 (E_RNA)
where:
Base-Base interactions energy: -553.142
where: short stacking energy: -242.928
Base-Backbone interact. energy: -0.414
local terms energy: -258.184862
where:
bonds (distance) C4'-P energy: -48.618
bonds (distance) P-C4' energy: -48.802
flat angles C4'-P-C4' energy: -55.881
flat angles P-C4'-P energy: -40.498
tors. eta vs tors. theta energy: -64.387
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: 5, replica: 1
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -712.310164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.310164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.310164 (E_RNA)
where:
Base-Base interactions energy: -480.110
where: short stacking energy: -208.226
Base-Backbone interact. energy: -0.628
local terms energy: -231.572079
where:
bonds (distance) C4'-P energy: -41.329
bonds (distance) P-C4' energy: -51.016
flat angles C4'-P-C4' energy: -52.140
flat angles P-C4'-P energy: -36.021
tors. eta vs tors. theta energy: -51.066
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: 408
Temperature: 1.150000
Total energy: -637.277628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.277628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.277628 (E_RNA)
where:
Base-Base interactions energy: -409.037
where: short stacking energy: -174.697
Base-Backbone interact. energy: -2.071
local terms energy: -226.169809
where:
bonds (distance) C4'-P energy: -53.039
bonds (distance) P-C4' energy: -50.541
flat angles C4'-P-C4' energy: -51.423
flat angles P-C4'-P energy: -34.553
tors. eta vs tors. theta energy: -36.614
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: 7, replica: 8
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -603.139638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.139638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.139638 (E_RNA)
where:
Base-Base interactions energy: -423.277
where: short stacking energy: -175.242
Base-Backbone interact. energy: 0.403
local terms energy: -180.266138
where:
bonds (distance) C4'-P energy: -33.441
bonds (distance) P-C4' energy: -37.317
flat angles C4'-P-C4' energy: -47.012
flat angles P-C4'-P energy: -31.044
tors. eta vs tors. theta energy: -31.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -555.970330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.970330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.970330 (E_RNA)
where:
Base-Base interactions energy: -379.336
where: short stacking energy: -162.058
Base-Backbone interact. energy: 0.905
local terms energy: -177.539317
where:
bonds (distance) C4'-P energy: -29.984
bonds (distance) P-C4' energy: -47.154
flat angles C4'-P-C4' energy: -42.205
flat angles P-C4'-P energy: -26.867
tors. eta vs tors. theta energy: -31.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -293.225459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.225459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.225459 (E_RNA)
where:
Base-Base interactions energy: -131.081
where: short stacking energy: -77.201
Base-Backbone interact. energy: 0.903
local terms energy: -163.047405
where:
bonds (distance) C4'-P energy: -52.042
bonds (distance) P-C4' energy: -39.585
flat angles C4'-P-C4' energy: -46.296
flat angles P-C4'-P energy: -27.526
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: 10, replica: 10
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -217.056102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.056102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.056102 (E_RNA)
where:
Base-Base interactions energy: -92.637
where: short stacking energy: -79.129
Base-Backbone interact. energy: 0.882
local terms energy: -125.301648
where:
bonds (distance) C4'-P energy: -31.438
bonds (distance) P-C4' energy: -38.801
flat angles C4'-P-C4' energy: -38.134
flat angles P-C4'-P energy: -11.908
tors. eta vs tors. theta energy: -5.020
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: 409
Temperature: 0.900000
Total energy: -889.579908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.579908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.579908 (E_RNA)
where:
Base-Base interactions energy: -596.068
where: short stacking energy: -262.617
Base-Backbone interact. energy: 0.793
local terms energy: -294.305026
where:
bonds (distance) C4'-P energy: -55.160
bonds (distance) P-C4' energy: -52.229
flat angles C4'-P-C4' energy: -62.688
flat angles P-C4'-P energy: -38.591
tors. eta vs tors. theta energy: -85.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -853.296305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.296305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.296305 (E_RNA)
where:
Base-Base interactions energy: -606.434
where: short stacking energy: -250.061
Base-Backbone interact. energy: 0.350
local terms energy: -247.211664
where:
bonds (distance) C4'-P energy: -48.457
bonds (distance) P-C4' energy: -43.169
flat angles C4'-P-C4' energy: -51.991
flat angles P-C4'-P energy: -41.286
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: 3, replica: 5
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -825.859656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.859656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.859656 (E_RNA)
where:
Base-Base interactions energy: -568.068
where: short stacking energy: -244.725
Base-Backbone interact. energy: -1.865
local terms energy: -255.927479
where:
bonds (distance) C4'-P energy: -52.043
bonds (distance) P-C4' energy: -50.484
flat angles C4'-P-C4' energy: -58.229
flat angles P-C4'-P energy: -35.689
tors. eta vs tors. theta energy: -59.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -787.422521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.422521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.422521 (E_RNA)
where:
Base-Base interactions energy: -537.826
where: short stacking energy: -227.194
Base-Backbone interact. energy: -1.310
local terms energy: -248.286512
where:
bonds (distance) C4'-P energy: -52.410
bonds (distance) P-C4' energy: -48.787
flat angles C4'-P-C4' energy: -45.954
flat angles P-C4'-P energy: -36.320
tors. eta vs tors. theta energy: -64.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -717.611040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.611040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.611040 (E_RNA)
where:
Base-Base interactions energy: -492.817
where: short stacking energy: -220.461
Base-Backbone interact. energy: -1.473
local terms energy: -223.320733
where:
bonds (distance) C4'-P energy: -40.212
bonds (distance) P-C4' energy: -50.743
flat angles C4'-P-C4' energy: -52.572
flat angles P-C4'-P energy: -26.566
tors. eta vs tors. theta energy: -53.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -648.511579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.511579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.511579 (E_RNA)
where:
Base-Base interactions energy: -427.973
where: short stacking energy: -203.377
Base-Backbone interact. energy: 0.381
local terms energy: -220.919541
where:
bonds (distance) C4'-P energy: -47.275
bonds (distance) P-C4' energy: -37.837
flat angles C4'-P-C4' energy: -53.450
flat angles P-C4'-P energy: -35.019
tors. eta vs tors. theta energy: -47.339
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: 8
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -619.575499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.575499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.575499 (E_RNA)
where:
Base-Base interactions energy: -422.998
where: short stacking energy: -179.888
Base-Backbone interact. energy: -0.433
local terms energy: -196.143957
where:
bonds (distance) C4'-P energy: -46.135
bonds (distance) P-C4' energy: -35.167
flat angles C4'-P-C4' energy: -46.668
flat angles P-C4'-P energy: -29.175
tors. eta vs tors. theta energy: -38.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -578.962527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.962527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.962527 (E_RNA)
where:
Base-Base interactions energy: -382.536
where: short stacking energy: -165.407
Base-Backbone interact. energy: -0.707
local terms energy: -195.720269
where:
bonds (distance) C4'-P energy: -42.486
bonds (distance) P-C4' energy: -44.761
flat angles C4'-P-C4' energy: -49.856
flat angles P-C4'-P energy: -18.203
tors. eta vs tors. theta energy: -40.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -309.381526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.381526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.381526 (E_RNA)
where:
Base-Base interactions energy: -165.466
where: short stacking energy: -85.092
Base-Backbone interact. energy: -1.294
local terms energy: -142.621364
where:
bonds (distance) C4'-P energy: -38.721
bonds (distance) P-C4' energy: -29.821
flat angles C4'-P-C4' energy: -40.994
flat angles P-C4'-P energy: -29.232
tors. eta vs tors. theta energy: -3.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -218.220217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.220217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.220217 (E_RNA)
where:
Base-Base interactions energy: -69.028
where: short stacking energy: -64.631
Base-Backbone interact. energy: -1.758
local terms energy: -147.435017
where:
bonds (distance) C4'-P energy: -39.484
bonds (distance) P-C4' energy: -47.911
flat angles C4'-P-C4' energy: -36.155
flat angles P-C4'-P energy: -32.891
tors. eta vs tors. theta energy: 9.006
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: 3
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -881.374612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.374612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.374612 (E_RNA)
where:
Base-Base interactions energy: -610.708
where: short stacking energy: -256.371
Base-Backbone interact. energy: -0.587
local terms energy: -270.079245
where:
bonds (distance) C4'-P energy: -50.118
bonds (distance) P-C4' energy: -49.652
flat angles C4'-P-C4' energy: -61.396
flat angles P-C4'-P energy: -39.780
tors. eta vs tors. theta energy: -69.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -872.661084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.661084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.661084 (E_RNA)
where:
Base-Base interactions energy: -591.956
where: short stacking energy: -276.007
Base-Backbone interact. energy: -0.399
local terms energy: -280.305980
where:
bonds (distance) C4'-P energy: -49.184
bonds (distance) P-C4' energy: -50.167
flat angles C4'-P-C4' energy: -59.927
flat angles P-C4'-P energy: -40.991
tors. eta vs tors. theta energy: -80.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -835.351729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.351729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.351729 (E_RNA)
where:
Base-Base interactions energy: -571.891
where: short stacking energy: -236.026
Base-Backbone interact. energy: -2.115
local terms energy: -261.345696
where:
bonds (distance) C4'-P energy: -45.926
bonds (distance) P-C4' energy: -56.508
flat angles C4'-P-C4' energy: -55.563
flat angles P-C4'-P energy: -38.079
tors. eta vs tors. theta energy: -65.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -803.957703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.957703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.957703 (E_RNA)
where:
Base-Base interactions energy: -539.343
where: short stacking energy: -221.156
Base-Backbone interact. energy: 1.732
local terms energy: -266.346958
where:
bonds (distance) C4'-P energy: -54.563
bonds (distance) P-C4' energy: -49.156
flat angles C4'-P-C4' energy: -56.643
flat angles P-C4'-P energy: -39.480
tors. eta vs tors. theta energy: -66.505
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: 6
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -675.119648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.119648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.119648 (E_RNA)
where:
Base-Base interactions energy: -439.625
where: short stacking energy: -189.574
Base-Backbone interact. energy: -1.372
local terms energy: -234.122138
where:
bonds (distance) C4'-P energy: -51.493
bonds (distance) P-C4' energy: -46.308
flat angles C4'-P-C4' energy: -49.106
flat angles P-C4'-P energy: -36.150
tors. eta vs tors. theta energy: -51.065
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: 1
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -681.037383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.037383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.037383 (E_RNA)
where:
Base-Base interactions energy: -465.214
where: short stacking energy: -204.348
Base-Backbone interact. energy: 1.491
local terms energy: -217.314891
where:
bonds (distance) C4'-P energy: -35.355
bonds (distance) P-C4' energy: -49.530
flat angles C4'-P-C4' energy: -56.897
flat angles P-C4'-P energy: -24.336
tors. eta vs tors. theta energy: -51.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -630.635571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.635571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.635571 (E_RNA)
where:
Base-Base interactions energy: -420.314
where: short stacking energy: -188.588
Base-Backbone interact. energy: -0.826
local terms energy: -209.496183
where:
bonds (distance) C4'-P energy: -40.466
bonds (distance) P-C4' energy: -47.947
flat angles C4'-P-C4' energy: -41.784
flat angles P-C4'-P energy: -34.740
tors. eta vs tors. theta energy: -44.560
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: 8
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -573.193023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.193023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.193023 (E_RNA)
where:
Base-Base interactions energy: -383.179
where: short stacking energy: -177.931
Base-Backbone interact. energy: 0.741
local terms energy: -190.755600
where:
bonds (distance) C4'-P energy: -40.162
bonds (distance) P-C4' energy: -46.976
flat angles C4'-P-C4' energy: -51.221
flat angles P-C4'-P energy: -15.812
tors. eta vs tors. theta energy: -36.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -365.038382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.038382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.038382 (E_RNA)
where:
Base-Base interactions energy: -197.487
where: short stacking energy: -102.399
Base-Backbone interact. energy: 2.952
local terms energy: -170.503721
where:
bonds (distance) C4'-P energy: -36.520
bonds (distance) P-C4' energy: -45.164
flat angles C4'-P-C4' energy: -46.883
flat angles P-C4'-P energy: -30.044
tors. eta vs tors. theta energy: -11.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -224.113192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.113192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.113192 (E_RNA)
where:
Base-Base interactions energy: -78.829
where: short stacking energy: -54.030
Base-Backbone interact. energy: -1.561
local terms energy: -143.722940
where:
bonds (distance) C4'-P energy: -45.704
bonds (distance) P-C4' energy: -46.823
flat angles C4'-P-C4' energy: -38.312
flat angles P-C4'-P energy: -22.937
tors. eta vs tors. theta energy: 10.053
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: 1, replica: 3
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -898.909581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.909581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.909581 (E_RNA)
where:
Base-Base interactions energy: -619.973
where: short stacking energy: -261.222
Base-Backbone interact. energy: 0.103
local terms energy: -279.039256
where:
bonds (distance) C4'-P energy: -46.676
bonds (distance) P-C4' energy: -52.279
flat angles C4'-P-C4' energy: -65.734
flat angles P-C4'-P energy: -43.947
tors. eta vs tors. theta energy: -70.403
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: 5
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -859.078057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.078057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.078057 (E_RNA)
where:
Base-Base interactions energy: -574.671
where: short stacking energy: -253.419
Base-Backbone interact. energy: -0.295
local terms energy: -284.111632
where:
bonds (distance) C4'-P energy: -56.679
bonds (distance) P-C4' energy: -50.346
flat angles C4'-P-C4' energy: -64.206
flat angles P-C4'-P energy: -41.414
tors. eta vs tors. theta energy: -71.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -874.438142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.438142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.438142 (E_RNA)
where:
Base-Base interactions energy: -592.836
where: short stacking energy: -274.606
Base-Backbone interact. energy: -0.163
local terms energy: -281.439508
where:
bonds (distance) C4'-P energy: -52.463
bonds (distance) P-C4' energy: -50.798
flat angles C4'-P-C4' energy: -55.371
flat angles P-C4'-P energy: -43.410
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: 4, replica: 4
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -821.073253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.073253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.073253 (E_RNA)
where:
Base-Base interactions energy: -564.431
where: short stacking energy: -224.600
Base-Backbone interact. energy: -1.917
local terms energy: -254.725538
where:
bonds (distance) C4'-P energy: -41.966
bonds (distance) P-C4' energy: -54.679
flat angles C4'-P-C4' energy: -59.119
flat angles P-C4'-P energy: -38.430
tors. eta vs tors. theta energy: -60.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -701.421235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.421235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.421235 (E_RNA)
where:
Base-Base interactions energy: -469.027
where: short stacking energy: -192.879
Base-Backbone interact. energy: -0.862
local terms energy: -231.532130
where:
bonds (distance) C4'-P energy: -50.990
bonds (distance) P-C4' energy: -46.668
flat angles C4'-P-C4' energy: -58.275
flat angles P-C4'-P energy: -27.057
tors. eta vs tors. theta energy: -48.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -686.802666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.802666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.802666 (E_RNA)
where:
Base-Base interactions energy: -459.615
where: short stacking energy: -207.745
Base-Backbone interact. energy: 0.394
local terms energy: -227.581948
where:
bonds (distance) C4'-P energy: -48.323
bonds (distance) P-C4' energy: -45.652
flat angles C4'-P-C4' energy: -49.041
flat angles P-C4'-P energy: -32.812
tors. eta vs tors. theta energy: -51.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -585.195825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.195825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.195825 (E_RNA)
where:
Base-Base interactions energy: -386.671
where: short stacking energy: -176.520
Base-Backbone interact. energy: -1.644
local terms energy: -196.880442
where:
bonds (distance) C4'-P energy: -44.171
bonds (distance) P-C4' energy: -38.925
flat angles C4'-P-C4' energy: -43.936
flat angles P-C4'-P energy: -27.197
tors. eta vs tors. theta energy: -42.652
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: 8
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -579.994959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.994959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.994959 (E_RNA)
where:
Base-Base interactions energy: -385.586
where: short stacking energy: -186.677
Base-Backbone interact. energy: -0.806
local terms energy: -193.602330
where:
bonds (distance) C4'-P energy: -45.845
bonds (distance) P-C4' energy: -27.514
flat angles C4'-P-C4' energy: -44.044
flat angles P-C4'-P energy: -27.074
tors. eta vs tors. theta energy: -49.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -308.942053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.942053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.942053 (E_RNA)
where:
Base-Base interactions energy: -151.217
where: short stacking energy: -92.805
Base-Backbone interact. energy: -1.020
local terms energy: -156.705325
where:
bonds (distance) C4'-P energy: -45.414
bonds (distance) P-C4' energy: -45.722
flat angles C4'-P-C4' energy: -34.333
flat angles P-C4'-P energy: -31.661
tors. eta vs tors. theta energy: 0.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -235.933540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.933540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.933540 (E_RNA)
where:
Base-Base interactions energy: -96.771
where: short stacking energy: -73.808
Base-Backbone interact. energy: -1.498
local terms energy: -137.664521
where:
bonds (distance) C4'-P energy: -46.540
bonds (distance) P-C4' energy: -53.383
flat angles C4'-P-C4' energy: -32.390
flat angles P-C4'-P energy: -12.239
tors. eta vs tors. theta energy: 6.888
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: 5
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -879.778837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.778837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.778837 (E_RNA)
where:
Base-Base interactions energy: -606.321
where: short stacking energy: -260.979
Base-Backbone interact. energy: -1.585
local terms energy: -271.873224
where:
bonds (distance) C4'-P energy: -48.007
bonds (distance) P-C4' energy: -56.380
flat angles C4'-P-C4' energy: -60.531
flat angles P-C4'-P energy: -40.189
tors. eta vs tors. theta energy: -66.766
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: 3
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -900.692053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.692053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.692053 (E_RNA)
where:
Base-Base interactions energy: -616.831
where: short stacking energy: -269.502
Base-Backbone interact. energy: 0.604
local terms energy: -284.464660
where:
bonds (distance) C4'-P energy: -53.827
bonds (distance) P-C4' energy: -56.856
flat angles C4'-P-C4' energy: -61.340
flat angles P-C4'-P energy: -41.218
tors. eta vs tors. theta energy: -71.224
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: 4
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -837.899199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.899199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.899199 (E_RNA)
where:
Base-Base interactions energy: -578.949
where: short stacking energy: -235.250
Base-Backbone interact. energy: -1.612
local terms energy: -257.337373
where:
bonds (distance) C4'-P energy: -55.701
bonds (distance) P-C4' energy: -55.644
flat angles C4'-P-C4' energy: -52.453
flat angles P-C4'-P energy: -30.934
tors. eta vs tors. theta energy: -62.606
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: 2
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -830.023886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.023886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.023886 (E_RNA)
where:
Base-Base interactions energy: -574.468
where: short stacking energy: -258.443
Base-Backbone interact. energy: -0.465
local terms energy: -255.090213
where:
bonds (distance) C4'-P energy: -44.575
bonds (distance) P-C4' energy: -57.371
flat angles C4'-P-C4' energy: -54.340
flat angles P-C4'-P energy: -29.547
tors. eta vs tors. theta energy: -69.258
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: 6
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -672.045253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.045253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.045253 (E_RNA)
where:
Base-Base interactions energy: -440.554
where: short stacking energy: -204.503
Base-Backbone interact. energy: -0.419
local terms energy: -231.072505
where:
bonds (distance) C4'-P energy: -42.467
bonds (distance) P-C4' energy: -50.422
flat angles C4'-P-C4' energy: -53.764
flat angles P-C4'-P energy: -39.441
tors. eta vs tors. theta energy: -44.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -649.773978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.773978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.773978 (E_RNA)
where:
Base-Base interactions energy: -432.081
where: short stacking energy: -189.007
Base-Backbone interact. energy: -0.614
local terms energy: -217.079759
where:
bonds (distance) C4'-P energy: -37.408
bonds (distance) P-C4' energy: -44.576
flat angles C4'-P-C4' energy: -50.627
flat angles P-C4'-P energy: -36.057
tors. eta vs tors. theta energy: -48.412
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: 8
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -632.844562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.844562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.844562 (E_RNA)
where:
Base-Base interactions energy: -392.982
where: short stacking energy: -182.435
Base-Backbone interact. energy: -1.025
local terms energy: -238.837735
where:
bonds (distance) C4'-P energy: -54.301
bonds (distance) P-C4' energy: -46.971
flat angles C4'-P-C4' energy: -52.821
flat angles P-C4'-P energy: -38.287
tors. eta vs tors. theta energy: -46.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -590.208798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.208798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.208798 (E_RNA)
where:
Base-Base interactions energy: -395.712
where: short stacking energy: -154.390
Base-Backbone interact. energy: -0.978
local terms energy: -193.518586
where:
bonds (distance) C4'-P energy: -40.400
bonds (distance) P-C4' energy: -39.994
flat angles C4'-P-C4' energy: -50.348
flat angles P-C4'-P energy: -26.157
tors. eta vs tors. theta energy: -36.620
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: 10
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -254.106550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.106550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.106550 (E_RNA)
where:
Base-Base interactions energy: -96.826
where: short stacking energy: -82.602
Base-Backbone interact. energy: 1.620
local terms energy: -158.901448
where:
bonds (distance) C4'-P energy: -39.115
bonds (distance) P-C4' energy: -52.235
flat angles C4'-P-C4' energy: -41.470
flat angles P-C4'-P energy: -24.759
tors. eta vs tors. theta energy: -1.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -296.047370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.047370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.047370 (E_RNA)
where:
Base-Base interactions energy: -144.093
where: short stacking energy: -93.165
Base-Backbone interact. energy: 0.093
local terms energy: -152.047230
where:
bonds (distance) C4'-P energy: -44.688
bonds (distance) P-C4' energy: -44.756
flat angles C4'-P-C4' energy: -29.149
flat angles P-C4'-P energy: -24.685
tors. eta vs tors. theta energy: -8.770
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: 413
Temperature: 0.900000
Total energy: -883.854664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.854664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.854664 (E_RNA)
where:
Base-Base interactions energy: -593.197
where: short stacking energy: -269.403
Base-Backbone interact. energy: -2.809
local terms energy: -287.848207
where:
bonds (distance) C4'-P energy: -52.810
bonds (distance) P-C4' energy: -53.691
flat angles C4'-P-C4' energy: -62.918
flat angles P-C4'-P energy: -44.783
tors. eta vs tors. theta energy: -73.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -866.625051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.625051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.625051 (E_RNA)
where:
Base-Base interactions energy: -586.120
where: short stacking energy: -251.269
Base-Backbone interact. energy: -1.653
local terms energy: -278.852820
where:
bonds (distance) C4'-P energy: -47.513
bonds (distance) P-C4' energy: -60.095
flat angles C4'-P-C4' energy: -60.590
flat angles P-C4'-P energy: -38.151
tors. eta vs tors. theta energy: -72.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -864.926580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.926580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.926580 (E_RNA)
where:
Base-Base interactions energy: -595.000
where: short stacking energy: -257.865
Base-Backbone interact. energy: -0.339
local terms energy: -269.587613
where:
bonds (distance) C4'-P energy: -56.515
bonds (distance) P-C4' energy: -45.404
flat angles C4'-P-C4' energy: -50.821
flat angles P-C4'-P energy: -44.502
tors. eta vs tors. theta energy: -72.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -878.857296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.857296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.857296 (E_RNA)
where:
Base-Base interactions energy: -596.323
where: short stacking energy: -265.964
Base-Backbone interact. energy: 0.809
local terms energy: -283.344065
where:
bonds (distance) C4'-P energy: -54.100
bonds (distance) P-C4' energy: -50.857
flat angles C4'-P-C4' energy: -56.068
flat angles P-C4'-P energy: -43.390
tors. eta vs tors. theta energy: -78.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -688.766736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.766736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.766736 (E_RNA)
where:
Base-Base interactions energy: -453.776
where: short stacking energy: -197.627
Base-Backbone interact. energy: -1.374
local terms energy: -233.616869
where:
bonds (distance) C4'-P energy: -47.810
bonds (distance) P-C4' energy: -40.710
flat angles C4'-P-C4' energy: -57.436
flat angles P-C4'-P energy: -33.509
tors. eta vs tors. theta energy: -54.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -687.764734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.764734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.764734 (E_RNA)
where:
Base-Base interactions energy: -485.489
where: short stacking energy: -216.127
Base-Backbone interact. energy: 0.497
local terms energy: -202.772800
where:
bonds (distance) C4'-P energy: -27.514
bonds (distance) P-C4' energy: -46.777
flat angles C4'-P-C4' energy: -48.740
flat angles P-C4'-P energy: -30.881
tors. eta vs tors. theta energy: -48.861
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: 8
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -594.105604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.105604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.105604 (E_RNA)
where:
Base-Base interactions energy: -376.924
where: short stacking energy: -180.319
Base-Backbone interact. energy: 0.678
local terms energy: -217.859220
where:
bonds (distance) C4'-P energy: -42.844
bonds (distance) P-C4' energy: -51.837
flat angles C4'-P-C4' energy: -52.788
flat angles P-C4'-P energy: -27.737
tors. eta vs tors. theta energy: -42.653
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: 7
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -583.167823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.167823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.167823 (E_RNA)
where:
Base-Base interactions energy: -382.661
where: short stacking energy: -171.951
Base-Backbone interact. energy: -0.606
local terms energy: -199.900793
where:
bonds (distance) C4'-P energy: -43.979
bonds (distance) P-C4' energy: -51.908
flat angles C4'-P-C4' energy: -39.568
flat angles P-C4'-P energy: -26.141
tors. eta vs tors. theta energy: -38.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -255.687495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.687495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.687495 (E_RNA)
where:
Base-Base interactions energy: -91.571
where: short stacking energy: -57.091
Base-Backbone interact. energy: -1.018
local terms energy: -163.098336
where:
bonds (distance) C4'-P energy: -44.357
bonds (distance) P-C4' energy: -57.200
flat angles C4'-P-C4' energy: -40.149
flat angles P-C4'-P energy: -27.805
tors. eta vs tors. theta energy: 6.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -284.867570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.867570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.867570 (E_RNA)
where:
Base-Base interactions energy: -151.929
where: short stacking energy: -77.843
Base-Backbone interact. energy: 7.790
local terms energy: -140.728465
where:
bonds (distance) C4'-P energy: -39.737
bonds (distance) P-C4' energy: -47.035
flat angles C4'-P-C4' energy: -33.334
flat angles P-C4'-P energy: -32.552
tors. eta vs tors. theta energy: 11.929
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: 1, replica: 4
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -886.393074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.393074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.393074 (E_RNA)
where:
Base-Base interactions energy: -619.820
where: short stacking energy: -268.051
Base-Backbone interact. energy: -1.228
local terms energy: -265.345607
where:
bonds (distance) C4'-P energy: -50.823
bonds (distance) P-C4' energy: -49.774
flat angles C4'-P-C4' energy: -54.369
flat angles P-C4'-P energy: -38.954
tors. eta vs tors. theta energy: -71.426
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: 414
Temperature: 0.950000
Total energy: -844.021637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.021637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.021637 (E_RNA)
where:
Base-Base interactions energy: -583.504
where: short stacking energy: -252.140
Base-Backbone interact. energy: -0.886
local terms energy: -259.631544
where:
bonds (distance) C4'-P energy: -44.113
bonds (distance) P-C4' energy: -50.087
flat angles C4'-P-C4' energy: -61.563
flat angles P-C4'-P energy: -33.454
tors. eta vs tors. theta energy: -70.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -867.735021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.735021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.735021 (E_RNA)
where:
Base-Base interactions energy: -590.749
where: short stacking energy: -245.964
Base-Backbone interact. energy: 0.084
local terms energy: -277.070150
where:
bonds (distance) C4'-P energy: -53.879
bonds (distance) P-C4' energy: -42.512
flat angles C4'-P-C4' energy: -59.025
flat angles P-C4'-P energy: -42.691
tors. eta vs tors. theta energy: -78.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -833.013217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.013217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.013217 (E_RNA)
where:
Base-Base interactions energy: -573.990
where: short stacking energy: -252.116
Base-Backbone interact. energy: -0.961
local terms energy: -258.062061
where:
bonds (distance) C4'-P energy: -44.489
bonds (distance) P-C4' energy: -48.389
flat angles C4'-P-C4' energy: -59.431
flat angles P-C4'-P energy: -35.872
tors. eta vs tors. theta energy: -69.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -682.347385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.347385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.347385 (E_RNA)
where:
Base-Base interactions energy: -449.373
where: short stacking energy: -184.333
Base-Backbone interact. energy: -0.606
local terms energy: -232.367958
where:
bonds (distance) C4'-P energy: -53.318
bonds (distance) P-C4' energy: -46.477
flat angles C4'-P-C4' energy: -54.698
flat angles P-C4'-P energy: -36.640
tors. eta vs tors. theta energy: -41.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -687.174303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.174303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.174303 (E_RNA)
where:
Base-Base interactions energy: -460.279
where: short stacking energy: -205.373
Base-Backbone interact. energy: 1.012
local terms energy: -227.907275
where:
bonds (distance) C4'-P energy: -47.780
bonds (distance) P-C4' energy: -51.122
flat angles C4'-P-C4' energy: -54.331
flat angles P-C4'-P energy: -26.063
tors. eta vs tors. theta energy: -48.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -584.826804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.826804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.826804 (E_RNA)
where:
Base-Base interactions energy: -372.820
where: short stacking energy: -160.315
Base-Backbone interact. energy: 1.850
local terms energy: -213.856236
where:
bonds (distance) C4'-P energy: -41.633
bonds (distance) P-C4' energy: -49.757
flat angles C4'-P-C4' energy: -46.976
flat angles P-C4'-P energy: -40.576
tors. eta vs tors. theta energy: -34.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -619.208275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.208275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.208275 (E_RNA)
where:
Base-Base interactions energy: -406.833
where: short stacking energy: -175.673
Base-Backbone interact. energy: -0.739
local terms energy: -211.636162
where:
bonds (distance) C4'-P energy: -43.221
bonds (distance) P-C4' energy: -43.157
flat angles C4'-P-C4' energy: -49.661
flat angles P-C4'-P energy: -28.614
tors. eta vs tors. theta energy: -46.983
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: 9, replica: 9
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -317.934863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.934863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.934863 (E_RNA)
where:
Base-Base interactions energy: -161.143
where: short stacking energy: -95.326
Base-Backbone interact. energy: -1.210
local terms energy: -155.582477
where:
bonds (distance) C4'-P energy: -37.301
bonds (distance) P-C4' energy: -42.467
flat angles C4'-P-C4' energy: -40.198
flat angles P-C4'-P energy: -33.121
tors. eta vs tors. theta energy: -2.495
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: 10
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -229.279558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.279558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.279558 (E_RNA)
where:
Base-Base interactions energy: -78.032
where: short stacking energy: -74.316
Base-Backbone interact. energy: -2.346
local terms energy: -148.901995
where:
bonds (distance) C4'-P energy: -32.753
bonds (distance) P-C4' energy: -49.174
flat angles C4'-P-C4' energy: -37.573
flat angles P-C4'-P energy: -27.026
tors. eta vs tors. theta energy: -2.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -905.212645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.212645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.212645 (E_RNA)
where:
Base-Base interactions energy: -619.925
where: short stacking energy: -262.232
Base-Backbone interact. energy: -1.280
local terms energy: -284.008108
where:
bonds (distance) C4'-P energy: -54.873
bonds (distance) P-C4' energy: -54.275
flat angles C4'-P-C4' energy: -61.143
flat angles P-C4'-P energy: -42.930
tors. eta vs tors. theta energy: -70.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -885.287776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.287776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.287776 (E_RNA)
where:
Base-Base interactions energy: -597.496
where: short stacking energy: -266.221
Base-Backbone interact. energy: -0.680
local terms energy: -287.111865
where:
bonds (distance) C4'-P energy: -49.710
bonds (distance) P-C4' energy: -52.865
flat angles C4'-P-C4' energy: -65.836
flat angles P-C4'-P energy: -38.596
tors. eta vs tors. theta energy: -80.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -833.444330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.444330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.444330 (E_RNA)
where:
Base-Base interactions energy: -583.979
where: short stacking energy: -257.939
Base-Backbone interact. energy: -1.650
local terms energy: -247.815233
where:
bonds (distance) C4'-P energy: -43.678
bonds (distance) P-C4' energy: -39.963
flat angles C4'-P-C4' energy: -57.841
flat angles P-C4'-P energy: -38.364
tors. eta vs tors. theta energy: -67.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -834.387764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.387764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.387764 (E_RNA)
where:
Base-Base interactions energy: -579.553
where: short stacking energy: -259.917
Base-Backbone interact. energy: 0.924
local terms energy: -255.758448
where:
bonds (distance) C4'-P energy: -50.642
bonds (distance) P-C4' energy: -48.580
flat angles C4'-P-C4' energy: -53.228
flat angles P-C4'-P energy: -33.609
tors. eta vs tors. theta energy: -69.698
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: 5, replica: 6
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -692.445145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.445145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.445145 (E_RNA)
where:
Base-Base interactions energy: -477.410
where: short stacking energy: -202.638
Base-Backbone interact. energy: 0.283
local terms energy: -215.318843
where:
bonds (distance) C4'-P energy: -39.807
bonds (distance) P-C4' energy: -41.096
flat angles C4'-P-C4' energy: -62.765
flat angles P-C4'-P energy: -24.010
tors. eta vs tors. theta energy: -47.642
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: 1
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -682.241962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.241962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.241962 (E_RNA)
where:
Base-Base interactions energy: -456.910
where: short stacking energy: -199.836
Base-Backbone interact. energy: -1.129
local terms energy: -224.203206
where:
bonds (distance) C4'-P energy: -47.609
bonds (distance) P-C4' energy: -47.498
flat angles C4'-P-C4' energy: -45.896
flat angles P-C4'-P energy: -36.854
tors. eta vs tors. theta energy: -46.345
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: 7, replica: 7
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -606.982839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.982839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.982839 (E_RNA)
where:
Base-Base interactions energy: -405.098
where: short stacking energy: -187.154
Base-Backbone interact. energy: -1.078
local terms energy: -200.806739
where:
bonds (distance) C4'-P energy: -35.775
bonds (distance) P-C4' energy: -43.481
flat angles C4'-P-C4' energy: -48.565
flat angles P-C4'-P energy: -27.031
tors. eta vs tors. theta energy: -45.956
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: 8
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -595.282065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.282065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.282065 (E_RNA)
where:
Base-Base interactions energy: -389.190
where: short stacking energy: -169.487
Base-Backbone interact. energy: -0.501
local terms energy: -205.591163
where:
bonds (distance) C4'-P energy: -40.096
bonds (distance) P-C4' energy: -48.856
flat angles C4'-P-C4' energy: -44.712
flat angles P-C4'-P energy: -33.396
tors. eta vs tors. theta energy: -38.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -313.228171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.228171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.228171 (E_RNA)
where:
Base-Base interactions energy: -165.040
where: short stacking energy: -100.790
Base-Backbone interact. energy: -0.874
local terms energy: -147.313857
where:
bonds (distance) C4'-P energy: -48.664
bonds (distance) P-C4' energy: -44.157
flat angles C4'-P-C4' energy: -32.429
flat angles P-C4'-P energy: -18.853
tors. eta vs tors. theta energy: -3.212
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: 10
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -233.456024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.456024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.456024 (E_RNA)
where:
Base-Base interactions energy: -79.784
where: short stacking energy: -66.612
Base-Backbone interact. energy: -0.662
local terms energy: -153.009807
where:
bonds (distance) C4'-P energy: -39.544
bonds (distance) P-C4' energy: -42.525
flat angles C4'-P-C4' energy: -48.523
flat angles P-C4'-P energy: -24.737
tors. eta vs tors. theta energy: 2.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -906.158431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.158431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.158431 (E_RNA)
where:
Base-Base interactions energy: -626.539
where: short stacking energy: -269.210
Base-Backbone interact. energy: -1.135
local terms energy: -278.484530
where:
bonds (distance) C4'-P energy: -44.939
bonds (distance) P-C4' energy: -51.454
flat angles C4'-P-C4' energy: -58.386
flat angles P-C4'-P energy: -46.625
tors. eta vs tors. theta energy: -77.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -881.192397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.192397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.192397 (E_RNA)
where:
Base-Base interactions energy: -603.456
where: short stacking energy: -269.867
Base-Backbone interact. energy: -0.725
local terms energy: -277.011984
where:
bonds (distance) C4'-P energy: -43.182
bonds (distance) P-C4' energy: -53.316
flat angles C4'-P-C4' energy: -58.625
flat angles P-C4'-P energy: -41.107
tors. eta vs tors. theta energy: -80.782
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: 3
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -847.891762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.891762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.891762 (E_RNA)
where:
Base-Base interactions energy: -598.998
where: short stacking energy: -254.039
Base-Backbone interact. energy: -1.168
local terms energy: -247.725856
where:
bonds (distance) C4'-P energy: -45.280
bonds (distance) P-C4' energy: -48.958
flat angles C4'-P-C4' energy: -54.728
flat angles P-C4'-P energy: -27.790
tors. eta vs tors. theta energy: -70.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -817.140129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.140129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.140129 (E_RNA)
where:
Base-Base interactions energy: -568.519
where: short stacking energy: -244.601
Base-Backbone interact. energy: -0.271
local terms energy: -248.349732
where:
bonds (distance) C4'-P energy: -47.564
bonds (distance) P-C4' energy: -44.103
flat angles C4'-P-C4' energy: -47.259
flat angles P-C4'-P energy: -41.614
tors. eta vs tors. theta energy: -67.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -712.952175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.952175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.952175 (E_RNA)
where:
Base-Base interactions energy: -486.509
where: short stacking energy: -207.626
Base-Backbone interact. energy: 0.089
local terms energy: -226.531837
where:
bonds (distance) C4'-P energy: -43.021
bonds (distance) P-C4' energy: -50.518
flat angles C4'-P-C4' energy: -49.139
flat angles P-C4'-P energy: -33.751
tors. eta vs tors. theta energy: -50.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -671.823090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.823090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.823090 (E_RNA)
where:
Base-Base interactions energy: -449.255
where: short stacking energy: -200.882
Base-Backbone interact. energy: 1.491
local terms energy: -224.058529
where:
bonds (distance) C4'-P energy: -47.652
bonds (distance) P-C4' energy: -43.716
flat angles C4'-P-C4' energy: -48.091
flat angles P-C4'-P energy: -32.920
tors. eta vs tors. theta energy: -51.680
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: 7
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -613.658967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.658967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.658967 (E_RNA)
where:
Base-Base interactions energy: -394.671
where: short stacking energy: -185.403
Base-Backbone interact. energy: -0.835
local terms energy: -218.152228
where:
bonds (distance) C4'-P energy: -47.883
bonds (distance) P-C4' energy: -56.094
flat angles C4'-P-C4' energy: -44.806
flat angles P-C4'-P energy: -27.102
tors. eta vs tors. theta energy: -42.267
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: 8
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -560.176818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.176818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.176818 (E_RNA)
where:
Base-Base interactions energy: -381.001
where: short stacking energy: -167.000
Base-Backbone interact. energy: 9.098
local terms energy: -188.274239
where:
bonds (distance) C4'-P energy: -40.488
bonds (distance) P-C4' energy: -34.785
flat angles C4'-P-C4' energy: -48.682
flat angles P-C4'-P energy: -27.956
tors. eta vs tors. theta energy: -36.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -328.458138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.458138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.458138 (E_RNA)
where:
Base-Base interactions energy: -159.958
where: short stacking energy: -103.497
Base-Backbone interact. energy: 4.693
local terms energy: -173.193107
where:
bonds (distance) C4'-P energy: -40.666
bonds (distance) P-C4' energy: -46.508
flat angles C4'-P-C4' energy: -44.152
flat angles P-C4'-P energy: -27.938
tors. eta vs tors. theta energy: -13.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -236.657313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.657313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.657313 (E_RNA)
where:
Base-Base interactions energy: -82.125
where: short stacking energy: -72.449
Base-Backbone interact. energy: 0.874
local terms energy: -155.406546
where:
bonds (distance) C4'-P energy: -47.992
bonds (distance) P-C4' energy: -49.473
flat angles C4'-P-C4' energy: -31.915
flat angles P-C4'-P energy: -27.324
tors. eta vs tors. theta energy: 1.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -902.922173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.922173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.922173 (E_RNA)
where:
Base-Base interactions energy: -633.582
where: short stacking energy: -264.342
Base-Backbone interact. energy: -0.601
local terms energy: -268.738346
where:
bonds (distance) C4'-P energy: -54.404
bonds (distance) P-C4' energy: -53.515
flat angles C4'-P-C4' energy: -58.573
flat angles P-C4'-P energy: -33.843
tors. eta vs tors. theta energy: -68.403
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: 3
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -857.626151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.626151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.626151 (E_RNA)
where:
Base-Base interactions energy: -603.561
where: short stacking energy: -245.040
Base-Backbone interact. energy: -2.254
local terms energy: -251.811319
where:
bonds (distance) C4'-P energy: -43.836
bonds (distance) P-C4' energy: -52.407
flat angles C4'-P-C4' energy: -51.456
flat angles P-C4'-P energy: -36.908
tors. eta vs tors. theta energy: -67.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -875.219282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.219282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.219282 (E_RNA)
where:
Base-Base interactions energy: -599.916
where: short stacking energy: -253.813
Base-Backbone interact. energy: -2.539
local terms energy: -272.764887
where:
bonds (distance) C4'-P energy: -47.912
bonds (distance) P-C4' energy: -51.747
flat angles C4'-P-C4' energy: -62.584
flat angles P-C4'-P energy: -36.515
tors. eta vs tors. theta energy: -74.007
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: 417
Temperature: 1.050000
Total energy: -795.993611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.993611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.993611 (E_RNA)
where:
Base-Base interactions energy: -552.264
where: short stacking energy: -230.268
Base-Backbone interact. energy: -0.747
local terms energy: -242.982234
where:
bonds (distance) C4'-P energy: -48.029
bonds (distance) P-C4' energy: -42.362
flat angles C4'-P-C4' energy: -55.939
flat angles P-C4'-P energy: -33.967
tors. eta vs tors. theta energy: -62.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -747.413007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.413007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.413007 (E_RNA)
where:
Base-Base interactions energy: -484.773
where: short stacking energy: -214.372
Base-Backbone interact. energy: -0.497
local terms energy: -262.143272
where:
bonds (distance) C4'-P energy: -59.725
bonds (distance) P-C4' energy: -52.081
flat angles C4'-P-C4' energy: -50.599
flat angles P-C4'-P energy: -41.007
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: 6, replica: 1
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -697.892645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.892645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.892645 (E_RNA)
where:
Base-Base interactions energy: -461.516
where: short stacking energy: -210.937
Base-Backbone interact. energy: -0.381
local terms energy: -235.996128
where:
bonds (distance) C4'-P energy: -37.400
bonds (distance) P-C4' energy: -49.479
flat angles C4'-P-C4' energy: -54.098
flat angles P-C4'-P energy: -36.641
tors. eta vs tors. theta energy: -58.379
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: 7
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -606.011251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.011251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.011251 (E_RNA)
where:
Base-Base interactions energy: -394.034
where: short stacking energy: -163.676
Base-Backbone interact. energy: -0.655
local terms energy: -211.322901
where:
bonds (distance) C4'-P energy: -39.394
bonds (distance) P-C4' energy: -46.082
flat angles C4'-P-C4' energy: -49.236
flat angles P-C4'-P energy: -46.408
tors. eta vs tors. theta energy: -30.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -559.950147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.950147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.950147 (E_RNA)
where:
Base-Base interactions energy: -354.853
where: short stacking energy: -157.878
Base-Backbone interact. energy: 1.129
local terms energy: -206.226031
where:
bonds (distance) C4'-P energy: -51.039
bonds (distance) P-C4' energy: -49.328
flat angles C4'-P-C4' energy: -47.802
flat angles P-C4'-P energy: -29.428
tors. eta vs tors. theta energy: -28.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -321.295162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.295162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.295162 (E_RNA)
where:
Base-Base interactions energy: -160.115
where: short stacking energy: -99.491
Base-Backbone interact. energy: 0.711
local terms energy: -161.891236
where:
bonds (distance) C4'-P energy: -47.416
bonds (distance) P-C4' energy: -44.813
flat angles C4'-P-C4' energy: -39.433
flat angles P-C4'-P energy: -20.557
tors. eta vs tors. theta energy: -9.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -238.192644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.192644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.192644 (E_RNA)
where:
Base-Base interactions energy: -108.292
where: short stacking energy: -54.857
Base-Backbone interact. energy: -2.808
local terms energy: -127.093185
where:
bonds (distance) C4'-P energy: -39.079
bonds (distance) P-C4' energy: -35.406
flat angles C4'-P-C4' energy: -35.542
flat angles P-C4'-P energy: -21.598
tors. eta vs tors. theta energy: 4.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -876.988880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.988880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.988880 (E_RNA)
where:
Base-Base interactions energy: -594.065
where: short stacking energy: -253.393
Base-Backbone interact. energy: -0.908
local terms energy: -282.016462
where:
bonds (distance) C4'-P energy: -57.916
bonds (distance) P-C4' energy: -50.590
flat angles C4'-P-C4' energy: -61.165
flat angles P-C4'-P energy: -38.078
tors. eta vs tors. theta energy: -74.267
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: 3
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -843.030799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.030799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.030799 (E_RNA)
where:
Base-Base interactions energy: -574.352
where: short stacking energy: -241.421
Base-Backbone interact. energy: 0.648
local terms energy: -269.326795
where:
bonds (distance) C4'-P energy: -53.039
bonds (distance) P-C4' energy: -51.643
flat angles C4'-P-C4' energy: -56.688
flat angles P-C4'-P energy: -40.753
tors. eta vs tors. theta energy: -67.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -862.411286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.411286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.411286 (E_RNA)
where:
Base-Base interactions energy: -595.244
where: short stacking energy: -264.140
Base-Backbone interact. energy: -0.820
local terms energy: -266.347238
where:
bonds (distance) C4'-P energy: -52.817
bonds (distance) P-C4' energy: -48.587
flat angles C4'-P-C4' energy: -52.422
flat angles P-C4'-P energy: -36.552
tors. eta vs tors. theta energy: -75.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -808.405237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.405237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.405237 (E_RNA)
where:
Base-Base interactions energy: -549.210
where: short stacking energy: -232.419
Base-Backbone interact. energy: -1.214
local terms energy: -257.981130
where:
bonds (distance) C4'-P energy: -60.304
bonds (distance) P-C4' energy: -52.720
flat angles C4'-P-C4' energy: -47.631
flat angles P-C4'-P energy: -28.274
tors. eta vs tors. theta energy: -69.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -757.699860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.699860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.699860 (E_RNA)
where:
Base-Base interactions energy: -499.093
where: short stacking energy: -212.582
Base-Backbone interact. energy: -0.433
local terms energy: -258.173544
where:
bonds (distance) C4'-P energy: -47.723
bonds (distance) P-C4' energy: -51.120
flat angles C4'-P-C4' energy: -58.890
flat angles P-C4'-P energy: -39.733
tors. eta vs tors. theta energy: -60.708
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: 1
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -651.842490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.842490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.842490 (E_RNA)
where:
Base-Base interactions energy: -423.836
where: short stacking energy: -178.139
Base-Backbone interact. energy: 1.879
local terms energy: -229.885793
where:
bonds (distance) C4'-P energy: -52.070
bonds (distance) P-C4' energy: -55.216
flat angles C4'-P-C4' energy: -54.568
flat angles P-C4'-P energy: -29.048
tors. eta vs tors. theta energy: -38.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -561.386867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.386867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.386867 (E_RNA)
where:
Base-Base interactions energy: -367.614
where: short stacking energy: -154.536
Base-Backbone interact. energy: -2.371
local terms energy: -191.401399
where:
bonds (distance) C4'-P energy: -27.519
bonds (distance) P-C4' energy: -48.260
flat angles C4'-P-C4' energy: -48.576
flat angles P-C4'-P energy: -33.793
tors. eta vs tors. theta energy: -33.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -572.312717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.312717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.312717 (E_RNA)
where:
Base-Base interactions energy: -367.268
where: short stacking energy: -166.402
Base-Backbone interact. energy: -0.474
local terms energy: -204.571327
where:
bonds (distance) C4'-P energy: -45.319
bonds (distance) P-C4' energy: -50.580
flat angles C4'-P-C4' energy: -42.225
flat angles P-C4'-P energy: -28.040
tors. eta vs tors. theta energy: -38.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -316.732759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.732759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.732759 (E_RNA)
where:
Base-Base interactions energy: -166.097
where: short stacking energy: -102.779
Base-Backbone interact. energy: -0.531
local terms energy: -150.105313
where:
bonds (distance) C4'-P energy: -37.696
bonds (distance) P-C4' energy: -31.300
flat angles C4'-P-C4' energy: -44.827
flat angles P-C4'-P energy: -20.063
tors. eta vs tors. theta energy: -16.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -274.118949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.118949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.118949 (E_RNA)
where:
Base-Base interactions energy: -120.503
where: short stacking energy: -70.294
Base-Backbone interact. energy: -0.616
local terms energy: -153.000367
where:
bonds (distance) C4'-P energy: -37.832
bonds (distance) P-C4' energy: -42.070
flat angles C4'-P-C4' energy: -38.204
flat angles P-C4'-P energy: -29.818
tors. eta vs tors. theta energy: -5.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -876.542992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.542992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.542992 (E_RNA)
where:
Base-Base interactions energy: -594.066
where: short stacking energy: -259.157
Base-Backbone interact. energy: -0.130
local terms energy: -282.347279
where:
bonds (distance) C4'-P energy: -52.802
bonds (distance) P-C4' energy: -61.516
flat angles C4'-P-C4' energy: -58.818
flat angles P-C4'-P energy: -41.207
tors. eta vs tors. theta energy: -68.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -884.114701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.114701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.114701 (E_RNA)
where:
Base-Base interactions energy: -603.541
where: short stacking energy: -253.683
Base-Backbone interact. energy: -0.294
local terms energy: -280.279473
where:
bonds (distance) C4'-P energy: -55.768
bonds (distance) P-C4' energy: -48.213
flat angles C4'-P-C4' energy: -58.447
flat angles P-C4'-P energy: -39.318
tors. eta vs tors. theta energy: -78.533
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: 3
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -849.428129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.428129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.428129 (E_RNA)
where:
Base-Base interactions energy: -604.986
where: short stacking energy: -250.642
Base-Backbone interact. energy: -1.362
local terms energy: -243.079880
where:
bonds (distance) C4'-P energy: -41.066
bonds (distance) P-C4' energy: -52.407
flat angles C4'-P-C4' energy: -53.748
flat angles P-C4'-P energy: -32.915
tors. eta vs tors. theta energy: -62.944
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: 4, replica: 5
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -817.829698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.829698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.829698 (E_RNA)
where:
Base-Base interactions energy: -574.439
where: short stacking energy: -249.649
Base-Backbone interact. energy: -0.926
local terms energy: -242.465020
where:
bonds (distance) C4'-P energy: -44.776
bonds (distance) P-C4' energy: -47.595
flat angles C4'-P-C4' energy: -52.779
flat angles P-C4'-P energy: -38.455
tors. eta vs tors. theta energy: -58.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -740.606974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.606974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.606974 (E_RNA)
where:
Base-Base interactions energy: -508.438
where: short stacking energy: -211.704
Base-Backbone interact. energy: 2.978
local terms energy: -235.147038
where:
bonds (distance) C4'-P energy: -51.282
bonds (distance) P-C4' energy: -46.678
flat angles C4'-P-C4' energy: -49.964
flat angles P-C4'-P energy: -32.336
tors. eta vs tors. theta energy: -54.887
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: 1
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -678.611038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.611038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.611038 (E_RNA)
where:
Base-Base interactions energy: -460.339
where: short stacking energy: -198.889
Base-Backbone interact. energy: -4.071
local terms energy: -214.201123
where:
bonds (distance) C4'-P energy: -40.091
bonds (distance) P-C4' energy: -49.725
flat angles C4'-P-C4' energy: -53.616
flat angles P-C4'-P energy: -21.767
tors. eta vs tors. theta energy: -49.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -582.198915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.198915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.198915 (E_RNA)
where:
Base-Base interactions energy: -388.541
where: short stacking energy: -175.882
Base-Backbone interact. energy: -1.897
local terms energy: -191.760802
where:
bonds (distance) C4'-P energy: -41.490
bonds (distance) P-C4' energy: -48.336
flat angles C4'-P-C4' energy: -38.436
flat angles P-C4'-P energy: -32.407
tors. eta vs tors. theta energy: -31.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -543.732027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.732027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.732027 (E_RNA)
where:
Base-Base interactions energy: -336.763
where: short stacking energy: -153.932
Base-Backbone interact. energy: -1.521
local terms energy: -205.448467
where:
bonds (distance) C4'-P energy: -44.276
bonds (distance) P-C4' energy: -57.607
flat angles C4'-P-C4' energy: -44.338
flat angles P-C4'-P energy: -26.417
tors. eta vs tors. theta energy: -32.811
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: 9
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -317.741712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.741712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.741712 (E_RNA)
where:
Base-Base interactions energy: -150.654
where: short stacking energy: -83.761
Base-Backbone interact. energy: 1.608
local terms energy: -168.696357
where:
bonds (distance) C4'-P energy: -45.396
bonds (distance) P-C4' energy: -44.601
flat angles C4'-P-C4' energy: -40.657
flat angles P-C4'-P energy: -28.989
tors. eta vs tors. theta energy: -9.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -259.119149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.119149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.119149 (E_RNA)
where:
Base-Base interactions energy: -109.928
where: short stacking energy: -69.869
Base-Backbone interact. energy: -1.102
local terms energy: -148.089101
where:
bonds (distance) C4'-P energy: -39.123
bonds (distance) P-C4' energy: -50.496
flat angles C4'-P-C4' energy: -38.786
flat angles P-C4'-P energy: -14.537
tors. eta vs tors. theta energy: -5.147
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: 420
Temperature: 0.900000
Total energy: -903.914982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.914982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.914982 (E_RNA)
where:
Base-Base interactions energy: -624.274
where: short stacking energy: -258.306
Base-Backbone interact. energy: -0.001
local terms energy: -279.639839
where:
bonds (distance) C4'-P energy: -45.090
bonds (distance) P-C4' energy: -55.269
flat angles C4'-P-C4' energy: -56.702
flat angles P-C4'-P energy: -37.108
tors. eta vs tors. theta energy: -85.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -872.622366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.622366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.622366 (E_RNA)
where:
Base-Base interactions energy: -583.795
where: short stacking energy: -255.490
Base-Backbone interact. energy: 0.032
local terms energy: -288.858726
where:
bonds (distance) C4'-P energy: -54.276
bonds (distance) P-C4' energy: -60.990
flat angles C4'-P-C4' energy: -59.574
flat angles P-C4'-P energy: -39.740
tors. eta vs tors. theta energy: -74.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -831.779613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.779613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.779613 (E_RNA)
where:
Base-Base interactions energy: -579.693
where: short stacking energy: -241.826
Base-Backbone interact. energy: -0.211
local terms energy: -251.875607
where:
bonds (distance) C4'-P energy: -43.443
bonds (distance) P-C4' energy: -54.310
flat angles C4'-P-C4' energy: -51.446
flat angles P-C4'-P energy: -37.614
tors. eta vs tors. theta energy: -65.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -833.452783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.452783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.452783 (E_RNA)
where:
Base-Base interactions energy: -567.229
where: short stacking energy: -244.274
Base-Backbone interact. energy: -0.941
local terms energy: -265.282725
where:
bonds (distance) C4'-P energy: -48.179
bonds (distance) P-C4' energy: -48.854
flat angles C4'-P-C4' energy: -60.296
flat angles P-C4'-P energy: -35.266
tors. eta vs tors. theta energy: -72.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -767.024360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.024360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.024360 (E_RNA)
where:
Base-Base interactions energy: -512.428
where: short stacking energy: -218.060
Base-Backbone interact. energy: 3.100
local terms energy: -257.695872
where:
bonds (distance) C4'-P energy: -54.935
bonds (distance) P-C4' energy: -51.592
flat angles C4'-P-C4' energy: -51.985
flat angles P-C4'-P energy: -38.699
tors. eta vs tors. theta energy: -60.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -671.471975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.471975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.471975 (E_RNA)
where:
Base-Base interactions energy: -475.074
where: short stacking energy: -213.568
Base-Backbone interact. energy: 0.043
local terms energy: -196.440689
where:
bonds (distance) C4'-P energy: -36.372
bonds (distance) P-C4' energy: -39.669
flat angles C4'-P-C4' energy: -52.271
flat angles P-C4'-P energy: -24.403
tors. eta vs tors. theta energy: -43.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -591.107204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.107204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.107204 (E_RNA)
where:
Base-Base interactions energy: -375.962
where: short stacking energy: -167.540
Base-Backbone interact. energy: -1.358
local terms energy: -213.787170
where:
bonds (distance) C4'-P energy: -46.696
bonds (distance) P-C4' energy: -50.186
flat angles C4'-P-C4' energy: -45.166
flat angles P-C4'-P energy: -29.839
tors. eta vs tors. theta energy: -41.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -605.836440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.836440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.836440 (E_RNA)
where:
Base-Base interactions energy: -394.483
where: short stacking energy: -175.755
Base-Backbone interact. energy: 4.022
local terms energy: -215.375462
where:
bonds (distance) C4'-P energy: -38.416
bonds (distance) P-C4' energy: -51.158
flat angles C4'-P-C4' energy: -44.653
flat angles P-C4'-P energy: -37.288
tors. eta vs tors. theta energy: -43.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -343.402519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.402519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.402519 (E_RNA)
where:
Base-Base interactions energy: -177.975
where: short stacking energy: -103.358
Base-Backbone interact. energy: 0.598
local terms energy: -166.025309
where:
bonds (distance) C4'-P energy: -39.441
bonds (distance) P-C4' energy: -49.782
flat angles C4'-P-C4' energy: -49.263
flat angles P-C4'-P energy: -28.925
tors. eta vs tors. theta energy: 1.386
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: 10
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -223.214537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.214537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.214537 (E_RNA)
where:
Base-Base interactions energy: -82.329
where: short stacking energy: -67.465
Base-Backbone interact. energy: -0.520
local terms energy: -140.365234
where:
bonds (distance) C4'-P energy: -45.390
bonds (distance) P-C4' energy: -51.060
flat angles C4'-P-C4' energy: -33.281
flat angles P-C4'-P energy: -13.646
tors. eta vs tors. theta energy: 3.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -904.662031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.662031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.662031 (E_RNA)
where:
Base-Base interactions energy: -617.725
where: short stacking energy: -267.683
Base-Backbone interact. energy: -0.462
local terms energy: -286.474884
where:
bonds (distance) C4'-P energy: -52.474
bonds (distance) P-C4' energy: -56.561
flat angles C4'-P-C4' energy: -56.458
flat angles P-C4'-P energy: -42.697
tors. eta vs tors. theta energy: -78.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -874.176969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.176969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.176969 (E_RNA)
where:
Base-Base interactions energy: -609.222
where: short stacking energy: -266.421
Base-Backbone interact. energy: -1.595
local terms energy: -263.359581
where:
bonds (distance) C4'-P energy: -45.081
bonds (distance) P-C4' energy: -57.487
flat angles C4'-P-C4' energy: -49.055
flat angles P-C4'-P energy: -39.073
tors. eta vs tors. theta energy: -72.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -849.264320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.264320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.264320 (E_RNA)
where:
Base-Base interactions energy: -598.720
where: short stacking energy: -258.001
Base-Backbone interact. energy: -1.043
local terms energy: -249.501200
where:
bonds (distance) C4'-P energy: -48.286
bonds (distance) P-C4' energy: -47.308
flat angles C4'-P-C4' energy: -54.423
flat angles P-C4'-P energy: -39.261
tors. eta vs tors. theta energy: -60.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -816.313897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.313897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.313897 (E_RNA)
where:
Base-Base interactions energy: -572.854
where: short stacking energy: -240.160
Base-Backbone interact. energy: -1.466
local terms energy: -241.994307
where:
bonds (distance) C4'-P energy: -41.649
bonds (distance) P-C4' energy: -49.253
flat angles C4'-P-C4' energy: -53.687
flat angles P-C4'-P energy: -36.276
tors. eta vs tors. theta energy: -61.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -764.817609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.817609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.817609 (E_RNA)
where:
Base-Base interactions energy: -519.505
where: short stacking energy: -211.303
Base-Backbone interact. energy: -2.373
local terms energy: -242.939067
where:
bonds (distance) C4'-P energy: -48.819
bonds (distance) P-C4' energy: -47.863
flat angles C4'-P-C4' energy: -53.295
flat angles P-C4'-P energy: -34.348
tors. eta vs tors. theta energy: -58.615
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: 1
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -692.864638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.864638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.864638 (E_RNA)
where:
Base-Base interactions energy: -455.978
where: short stacking energy: -210.281
Base-Backbone interact. energy: -1.481
local terms energy: -235.406355
where:
bonds (distance) C4'-P energy: -42.678
bonds (distance) P-C4' energy: -54.417
flat angles C4'-P-C4' energy: -50.024
flat angles P-C4'-P energy: -38.105
tors. eta vs tors. theta energy: -50.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -622.165434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.165434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.165434 (E_RNA)
where:
Base-Base interactions energy: -409.867
where: short stacking energy: -181.053
Base-Backbone interact. energy: -0.468
local terms energy: -211.830381
where:
bonds (distance) C4'-P energy: -37.320
bonds (distance) P-C4' energy: -51.489
flat angles C4'-P-C4' energy: -40.491
flat angles P-C4'-P energy: -30.404
tors. eta vs tors. theta energy: -52.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -582.979900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.979900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.979900 (E_RNA)
where:
Base-Base interactions energy: -379.996
where: short stacking energy: -169.188
Base-Backbone interact. energy: 1.007
local terms energy: -203.990591
where:
bonds (distance) C4'-P energy: -37.939
bonds (distance) P-C4' energy: -41.868
flat angles C4'-P-C4' energy: -43.797
flat angles P-C4'-P energy: -32.137
tors. eta vs tors. theta energy: -48.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -282.136728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.136728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.136728 (E_RNA)
where:
Base-Base interactions energy: -144.422
where: short stacking energy: -95.332
Base-Backbone interact. energy: -0.544
local terms energy: -137.170521
where:
bonds (distance) C4'-P energy: -40.654
bonds (distance) P-C4' energy: -36.339
flat angles C4'-P-C4' energy: -48.968
flat angles P-C4'-P energy: -27.038
tors. eta vs tors. theta energy: 15.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -262.429111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.429111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.429111 (E_RNA)
where:
Base-Base interactions energy: -116.031
where: short stacking energy: -98.531
Base-Backbone interact. energy: -0.592
local terms energy: -145.806082
where:
bonds (distance) C4'-P energy: -30.169
bonds (distance) P-C4' energy: -53.249
flat angles C4'-P-C4' energy: -40.887
flat angles P-C4'-P energy: -20.587
tors. eta vs tors. theta energy: -0.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -899.246611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.246611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.246611 (E_RNA)
where:
Base-Base interactions energy: -610.755
where: short stacking energy: -268.524
Base-Backbone interact. energy: -0.798
local terms energy: -287.693380
where:
bonds (distance) C4'-P energy: -46.634
bonds (distance) P-C4' energy: -54.089
flat angles C4'-P-C4' energy: -62.252
flat angles P-C4'-P energy: -40.913
tors. eta vs tors. theta energy: -83.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -856.207616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.207616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.207616 (E_RNA)
where:
Base-Base interactions energy: -588.332
where: short stacking energy: -240.616
Base-Backbone interact. energy: -2.918
local terms energy: -264.958401
where:
bonds (distance) C4'-P energy: -51.868
bonds (distance) P-C4' energy: -55.031
flat angles C4'-P-C4' energy: -50.709
flat angles P-C4'-P energy: -34.901
tors. eta vs tors. theta energy: -72.449
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: 3
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -852.498534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.498534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.498534 (E_RNA)
where:
Base-Base interactions energy: -590.466
where: short stacking energy: -260.086
Base-Backbone interact. energy: 1.845
local terms energy: -263.877187
where:
bonds (distance) C4'-P energy: -47.887
bonds (distance) P-C4' energy: -46.871
flat angles C4'-P-C4' energy: -57.216
flat angles P-C4'-P energy: -41.068
tors. eta vs tors. theta energy: -70.835
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: 5
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -817.789281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.789281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.789281 (E_RNA)
where:
Base-Base interactions energy: -563.306
where: short stacking energy: -230.262
Base-Backbone interact. energy: -0.927
local terms energy: -253.555838
where:
bonds (distance) C4'-P energy: -47.738
bonds (distance) P-C4' energy: -48.150
flat angles C4'-P-C4' energy: -54.334
flat angles P-C4'-P energy: -40.432
tors. eta vs tors. theta energy: -62.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -767.452876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.452876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.452876 (E_RNA)
where:
Base-Base interactions energy: -504.812
where: short stacking energy: -226.649
Base-Backbone interact. energy: -3.150
local terms energy: -259.491185
where:
bonds (distance) C4'-P energy: -50.196
bonds (distance) P-C4' energy: -54.839
flat angles C4'-P-C4' energy: -56.367
flat angles P-C4'-P energy: -33.043
tors. eta vs tors. theta energy: -65.045
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: 1
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -658.348179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.348179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.348179 (E_RNA)
where:
Base-Base interactions energy: -428.687
where: short stacking energy: -183.317
Base-Backbone interact. energy: -0.444
local terms energy: -229.216393
where:
bonds (distance) C4'-P energy: -57.549
bonds (distance) P-C4' energy: -45.274
flat angles C4'-P-C4' energy: -60.197
flat angles P-C4'-P energy: -19.900
tors. eta vs tors. theta energy: -46.297
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: 7, replica: 8
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -593.927982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.927982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.927982 (E_RNA)
where:
Base-Base interactions energy: -373.620
where: short stacking energy: -178.889
Base-Backbone interact. energy: 1.369
local terms energy: -221.676793
where:
bonds (distance) C4'-P energy: -51.630
bonds (distance) P-C4' energy: -48.240
flat angles C4'-P-C4' energy: -53.855
flat angles P-C4'-P energy: -24.163
tors. eta vs tors. theta energy: -43.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -600.670228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.670228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.670228 (E_RNA)
where:
Base-Base interactions energy: -396.901
where: short stacking energy: -183.058
Base-Backbone interact. energy: 1.091
local terms energy: -204.859793
where:
bonds (distance) C4'-P energy: -52.538
bonds (distance) P-C4' energy: -43.248
flat angles C4'-P-C4' energy: -39.541
flat angles P-C4'-P energy: -27.701
tors. eta vs tors. theta energy: -41.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -298.471694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.471694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.471694 (E_RNA)
where:
Base-Base interactions energy: -116.428
where: short stacking energy: -85.246
Base-Backbone interact. energy: -1.342
local terms energy: -180.702084
where:
bonds (distance) C4'-P energy: -50.390
bonds (distance) P-C4' energy: -46.236
flat angles C4'-P-C4' energy: -49.043
flat angles P-C4'-P energy: -29.395
tors. eta vs tors. theta energy: -5.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -232.055460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.055460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.055460 (E_RNA)
where:
Base-Base interactions energy: -80.809
where: short stacking energy: -55.630
Base-Backbone interact. energy: 0.102
local terms energy: -151.349195
where:
bonds (distance) C4'-P energy: -27.306
bonds (distance) P-C4' energy: -49.863
flat angles C4'-P-C4' energy: -36.673
flat angles P-C4'-P energy: -30.979
tors. eta vs tors. theta energy: -6.528
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: 1, replica: 2
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -907.883332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.883332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.883332 (E_RNA)
where:
Base-Base interactions energy: -615.795
where: short stacking energy: -261.068
Base-Backbone interact. energy: -0.474
local terms energy: -291.614593
where:
bonds (distance) C4'-P energy: -53.704
bonds (distance) P-C4' energy: -56.208
flat angles C4'-P-C4' energy: -58.619
flat angles P-C4'-P energy: -47.512
tors. eta vs tors. theta energy: -75.572
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: 4
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -880.342741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.342741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.342741 (E_RNA)
where:
Base-Base interactions energy: -601.084
where: short stacking energy: -249.315
Base-Backbone interact. energy: 0.140
local terms energy: -279.398821
where:
bonds (distance) C4'-P energy: -53.302
bonds (distance) P-C4' energy: -47.162
flat angles C4'-P-C4' energy: -59.192
flat angles P-C4'-P energy: -44.304
tors. eta vs tors. theta energy: -75.439
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: 3
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -860.380669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.380669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.380669 (E_RNA)
where:
Base-Base interactions energy: -598.050
where: short stacking energy: -274.214
Base-Backbone interact. energy: -0.869
local terms energy: -261.461680
where:
bonds (distance) C4'-P energy: -43.053
bonds (distance) P-C4' energy: -47.951
flat angles C4'-P-C4' energy: -60.685
flat angles P-C4'-P energy: -32.364
tors. eta vs tors. theta energy: -77.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -812.931258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.931258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.931258 (E_RNA)
where:
Base-Base interactions energy: -558.218
where: short stacking energy: -240.975
Base-Backbone interact. energy: 1.344
local terms energy: -256.057158
where:
bonds (distance) C4'-P energy: -54.864
bonds (distance) P-C4' energy: -53.677
flat angles C4'-P-C4' energy: -55.362
flat angles P-C4'-P energy: -33.094
tors. eta vs tors. theta energy: -59.062
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: 423
Temperature: 1.100000
Total energy: -768.749087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.749087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.749087 (E_RNA)
where:
Base-Base interactions energy: -523.392
where: short stacking energy: -237.182
Base-Backbone interact. energy: 0.258
local terms energy: -245.614914
where:
bonds (distance) C4'-P energy: -54.695
bonds (distance) P-C4' energy: -49.005
flat angles C4'-P-C4' energy: -49.359
flat angles P-C4'-P energy: -35.143
tors. eta vs tors. theta energy: -57.414
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: 1
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -694.341138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.341138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.341138 (E_RNA)
where:
Base-Base interactions energy: -478.422
where: short stacking energy: -193.944
Base-Backbone interact. energy: 3.310
local terms energy: -219.229299
where:
bonds (distance) C4'-P energy: -53.119
bonds (distance) P-C4' energy: -49.973
flat angles C4'-P-C4' energy: -39.780
flat angles P-C4'-P energy: -28.881
tors. eta vs tors. theta energy: -47.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -600.683060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.683060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.683060 (E_RNA)
where:
Base-Base interactions energy: -415.911
where: short stacking energy: -188.560
Base-Backbone interact. energy: -0.737
local terms energy: -184.035321
where:
bonds (distance) C4'-P energy: -36.961
bonds (distance) P-C4' energy: -41.341
flat angles C4'-P-C4' energy: -39.191
flat angles P-C4'-P energy: -20.063
tors. eta vs tors. theta energy: -46.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -592.859888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.859888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.859888 (E_RNA)
where:
Base-Base interactions energy: -401.128
where: short stacking energy: -148.678
Base-Backbone interact. energy: -0.761
local terms energy: -190.970836
where:
bonds (distance) C4'-P energy: -30.964
bonds (distance) P-C4' energy: -50.860
flat angles C4'-P-C4' energy: -37.669
flat angles P-C4'-P energy: -38.220
tors. eta vs tors. theta energy: -33.259
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: 9
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -311.405868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.405868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.405868 (E_RNA)
where:
Base-Base interactions energy: -140.831
where: short stacking energy: -94.719
Base-Backbone interact. energy: 0.654
local terms energy: -171.229248
where:
bonds (distance) C4'-P energy: -41.813
bonds (distance) P-C4' energy: -44.003
flat angles C4'-P-C4' energy: -44.821
flat angles P-C4'-P energy: -27.877
tors. eta vs tors. theta energy: -12.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -232.192124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.192124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.192124 (E_RNA)
where:
Base-Base interactions energy: -108.922
where: short stacking energy: -91.449
Base-Backbone interact. energy: -2.208
local terms energy: -121.062006
where:
bonds (distance) C4'-P energy: -43.645
bonds (distance) P-C4' energy: -40.421
flat angles C4'-P-C4' energy: -33.963
flat angles P-C4'-P energy: -9.761
tors. eta vs tors. theta energy: 6.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -900.277566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.277566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.277566 (E_RNA)
where:
Base-Base interactions energy: -597.897
where: short stacking energy: -265.036
Base-Backbone interact. energy: -0.944
local terms energy: -301.436533
where:
bonds (distance) C4'-P energy: -60.372
bonds (distance) P-C4' energy: -53.324
flat angles C4'-P-C4' energy: -62.468
flat angles P-C4'-P energy: -44.555
tors. eta vs tors. theta energy: -80.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -866.860972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.860972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.860972 (E_RNA)
where:
Base-Base interactions energy: -587.030
where: short stacking energy: -256.196
Base-Backbone interact. energy: -1.572
local terms energy: -278.259075
where:
bonds (distance) C4'-P energy: -45.834
bonds (distance) P-C4' energy: -54.515
flat angles C4'-P-C4' energy: -58.999
flat angles P-C4'-P energy: -39.203
tors. eta vs tors. theta energy: -79.707
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: 3
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -857.761504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.761504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.761504 (E_RNA)
where:
Base-Base interactions energy: -595.924
where: short stacking energy: -263.980
Base-Backbone interact. energy: -1.142
local terms energy: -260.695439
where:
bonds (distance) C4'-P energy: -42.572
bonds (distance) P-C4' energy: -51.123
flat angles C4'-P-C4' energy: -62.009
flat angles P-C4'-P energy: -32.573
tors. eta vs tors. theta energy: -72.419
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: 5
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -785.959483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.959483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.959483 (E_RNA)
where:
Base-Base interactions energy: -527.116
where: short stacking energy: -222.949
Base-Backbone interact. energy: 0.273
local terms energy: -259.116069
where:
bonds (distance) C4'-P energy: -44.991
bonds (distance) P-C4' energy: -54.644
flat angles C4'-P-C4' energy: -59.636
flat angles P-C4'-P energy: -39.184
tors. eta vs tors. theta energy: -60.661
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: 6
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -770.409061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.409061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.409061 (E_RNA)
where:
Base-Base interactions energy: -517.944
where: short stacking energy: -235.280
Base-Backbone interact. energy: -2.364
local terms energy: -250.100157
where:
bonds (distance) C4'-P energy: -47.049
bonds (distance) P-C4' energy: -48.029
flat angles C4'-P-C4' energy: -54.271
flat angles P-C4'-P energy: -36.815
tors. eta vs tors. theta energy: -63.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -680.576385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.576385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.576385 (E_RNA)
where:
Base-Base interactions energy: -438.662
where: short stacking energy: -187.058
Base-Backbone interact. energy: -0.894
local terms energy: -241.020276
where:
bonds (distance) C4'-P energy: -34.608
bonds (distance) P-C4' energy: -52.920
flat angles C4'-P-C4' energy: -61.724
flat angles P-C4'-P energy: -42.420
tors. eta vs tors. theta energy: -49.348
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: 7
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -648.454580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.454580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.454580 (E_RNA)
where:
Base-Base interactions energy: -437.173
where: short stacking energy: -180.052
Base-Backbone interact. energy: 1.855
local terms energy: -213.136154
where:
bonds (distance) C4'-P energy: -46.113
bonds (distance) P-C4' energy: -56.557
flat angles C4'-P-C4' energy: -43.386
flat angles P-C4'-P energy: -29.812
tors. eta vs tors. theta energy: -37.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -589.357099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.357099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.357099 (E_RNA)
where:
Base-Base interactions energy: -374.280
where: short stacking energy: -176.021
Base-Backbone interact. energy: -0.885
local terms energy: -214.191556
where:
bonds (distance) C4'-P energy: -44.887
bonds (distance) P-C4' energy: -54.673
flat angles C4'-P-C4' energy: -47.730
flat angles P-C4'-P energy: -22.948
tors. eta vs tors. theta energy: -43.953
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: 9
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -324.565428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.565428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.565428 (E_RNA)
where:
Base-Base interactions energy: -191.478
where: short stacking energy: -104.374
Base-Backbone interact. energy: 1.601
local terms energy: -134.688830
where:
bonds (distance) C4'-P energy: -30.923
bonds (distance) P-C4' energy: -37.403
flat angles C4'-P-C4' energy: -42.745
flat angles P-C4'-P energy: -18.684
tors. eta vs tors. theta energy: -4.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -218.915430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.915430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.915430 (E_RNA)
where:
Base-Base interactions energy: -68.692
where: short stacking energy: -63.834
Base-Backbone interact. energy: 2.734
local terms energy: -152.956820
where:
bonds (distance) C4'-P energy: -37.273
bonds (distance) P-C4' energy: -47.368
flat angles C4'-P-C4' energy: -42.429
flat angles P-C4'-P energy: -26.891
tors. eta vs tors. theta energy: 1.005
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: 425
Temperature: 0.900000
Total energy: -916.075969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.075969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.075969 (E_RNA)
where:
Base-Base interactions energy: -614.046
where: short stacking energy: -285.151
Base-Backbone interact. energy: -0.038
local terms energy: -301.991858
where:
bonds (distance) C4'-P energy: -51.558
bonds (distance) P-C4' energy: -57.354
flat angles C4'-P-C4' energy: -65.201
flat angles P-C4'-P energy: -40.814
tors. eta vs tors. theta energy: -87.065
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: 4
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -890.935263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.935263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.935263 (E_RNA)
where:
Base-Base interactions energy: -617.126
where: short stacking energy: -266.940
Base-Backbone interact. energy: -0.810
local terms energy: -272.999381
where:
bonds (distance) C4'-P energy: -54.103
bonds (distance) P-C4' energy: -52.793
flat angles C4'-P-C4' energy: -58.236
flat angles P-C4'-P energy: -37.851
tors. eta vs tors. theta energy: -70.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -872.260672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.260672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.260672 (E_RNA)
where:
Base-Base interactions energy: -595.176
where: short stacking energy: -259.543
Base-Backbone interact. energy: -1.296
local terms energy: -275.789365
where:
bonds (distance) C4'-P energy: -49.480
bonds (distance) P-C4' energy: -51.329
flat angles C4'-P-C4' energy: -57.590
flat angles P-C4'-P energy: -41.125
tors. eta vs tors. theta energy: -76.266
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: 6
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -800.569820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.569820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.569820 (E_RNA)
where:
Base-Base interactions energy: -527.179
where: short stacking energy: -239.797
Base-Backbone interact. energy: -1.553
local terms energy: -271.837608
where:
bonds (distance) C4'-P energy: -49.101
bonds (distance) P-C4' energy: -53.856
flat angles C4'-P-C4' energy: -54.489
flat angles P-C4'-P energy: -41.512
tors. eta vs tors. theta energy: -72.880
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: 5, replica: 5
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -792.470771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.470771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.470771 (E_RNA)
where:
Base-Base interactions energy: -550.037
where: short stacking energy: -231.218
Base-Backbone interact. energy: -0.262
local terms energy: -242.171735
where:
bonds (distance) C4'-P energy: -39.031
bonds (distance) P-C4' energy: -55.457
flat angles C4'-P-C4' energy: -48.050
flat angles P-C4'-P energy: -34.232
tors. eta vs tors. theta energy: -65.403
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: 1
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -673.426048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.426048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.426048 (E_RNA)
where:
Base-Base interactions energy: -451.789
where: short stacking energy: -193.065
Base-Backbone interact. energy: -0.213
local terms energy: -221.423540
where:
bonds (distance) C4'-P energy: -47.192
bonds (distance) P-C4' energy: -47.785
flat angles C4'-P-C4' energy: -48.909
flat angles P-C4'-P energy: -34.846
tors. eta vs tors. theta energy: -42.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -633.618055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.618055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.618055 (E_RNA)
where:
Base-Base interactions energy: -410.032
where: short stacking energy: -178.232
Base-Backbone interact. energy: 1.341
local terms energy: -224.927154
where:
bonds (distance) C4'-P energy: -46.672
bonds (distance) P-C4' energy: -50.267
flat angles C4'-P-C4' energy: -53.424
flat angles P-C4'-P energy: -31.393
tors. eta vs tors. theta energy: -43.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -584.614096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.614096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.614096 (E_RNA)
where:
Base-Base interactions energy: -395.358
where: short stacking energy: -167.887
Base-Backbone interact. energy: -1.212
local terms energy: -188.043807
where:
bonds (distance) C4'-P energy: -40.591
bonds (distance) P-C4' energy: -44.903
flat angles C4'-P-C4' energy: -39.743
flat angles P-C4'-P energy: -28.741
tors. eta vs tors. theta energy: -34.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -308.311365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.311365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.311365 (E_RNA)
where:
Base-Base interactions energy: -148.277
where: short stacking energy: -93.008
Base-Backbone interact. energy: 0.988
local terms energy: -161.022959
where:
bonds (distance) C4'-P energy: -50.077
bonds (distance) P-C4' energy: -46.511
flat angles C4'-P-C4' energy: -40.901
flat angles P-C4'-P energy: -17.842
tors. eta vs tors. theta energy: -5.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -228.086925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.086925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.086925 (E_RNA)
where:
Base-Base interactions energy: -88.526
where: short stacking energy: -70.307
Base-Backbone interact. energy: 1.859
local terms energy: -141.419885
where:
bonds (distance) C4'-P energy: -41.605
bonds (distance) P-C4' energy: -47.569
flat angles C4'-P-C4' energy: -34.216
flat angles P-C4'-P energy: -25.273
tors. eta vs tors. theta energy: 7.244
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: 426
Temperature: 0.900000
Total energy: -904.139869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.139869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.139869 (E_RNA)
where:
Base-Base interactions energy: -618.292
where: short stacking energy: -280.997
Base-Backbone interact. energy: -1.287
local terms energy: -284.560546
where:
bonds (distance) C4'-P energy: -51.686
bonds (distance) P-C4' energy: -47.053
flat angles C4'-P-C4' energy: -66.138
flat angles P-C4'-P energy: -34.487
tors. eta vs tors. theta energy: -85.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -860.635757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.635757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.635757 (E_RNA)
where:
Base-Base interactions energy: -571.196
where: short stacking energy: -262.116
Base-Backbone interact. energy: -1.480
local terms energy: -287.960539
where:
bonds (distance) C4'-P energy: -49.593
bonds (distance) P-C4' energy: -58.678
flat angles C4'-P-C4' energy: -60.765
flat angles P-C4'-P energy: -45.793
tors. eta vs tors. theta energy: -73.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -871.004653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.004653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.004653 (E_RNA)
where:
Base-Base interactions energy: -600.875
where: short stacking energy: -254.673
Base-Backbone interact. energy: -0.894
local terms energy: -269.235026
where:
bonds (distance) C4'-P energy: -47.816
bonds (distance) P-C4' energy: -53.723
flat angles C4'-P-C4' energy: -54.975
flat angles P-C4'-P energy: -38.726
tors. eta vs tors. theta energy: -73.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -790.199278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.199278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.199278 (E_RNA)
where:
Base-Base interactions energy: -513.836
where: short stacking energy: -244.787
Base-Backbone interact. energy: -4.132
local terms energy: -272.231546
where:
bonds (distance) C4'-P energy: -52.469
bonds (distance) P-C4' energy: -46.839
flat angles C4'-P-C4' energy: -52.073
flat angles P-C4'-P energy: -44.579
tors. eta vs tors. theta energy: -76.272
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: 5, replica: 5
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -807.046129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.046129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.046129 (E_RNA)
where:
Base-Base interactions energy: -552.376
where: short stacking energy: -232.630
Base-Backbone interact. energy: -1.171
local terms energy: -253.498379
where:
bonds (distance) C4'-P energy: -44.629
bonds (distance) P-C4' energy: -47.565
flat angles C4'-P-C4' energy: -54.227
flat angles P-C4'-P energy: -44.589
tors. eta vs tors. theta energy: -62.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -644.337426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.337426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.337426 (E_RNA)
where:
Base-Base interactions energy: -431.718
where: short stacking energy: -183.247
Base-Backbone interact. energy: -0.290
local terms energy: -212.329804
where:
bonds (distance) C4'-P energy: -45.389
bonds (distance) P-C4' energy: -43.632
flat angles C4'-P-C4' energy: -49.772
flat angles P-C4'-P energy: -38.189
tors. eta vs tors. theta energy: -35.348
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: 7
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -632.532619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.532619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.532619 (E_RNA)
where:
Base-Base interactions energy: -446.480
where: short stacking energy: -187.288
Base-Backbone interact. energy: -1.321
local terms energy: -184.731839
where:
bonds (distance) C4'-P energy: -40.021
bonds (distance) P-C4' energy: -33.511
flat angles C4'-P-C4' energy: -41.910
flat angles P-C4'-P energy: -34.473
tors. eta vs tors. theta energy: -34.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -604.950687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.950687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.950687 (E_RNA)
where:
Base-Base interactions energy: -407.918
where: short stacking energy: -176.981
Base-Backbone interact. energy: 0.212
local terms energy: -197.244794
where:
bonds (distance) C4'-P energy: -42.009
bonds (distance) P-C4' energy: -42.464
flat angles C4'-P-C4' energy: -50.641
flat angles P-C4'-P energy: -23.123
tors. eta vs tors. theta energy: -39.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -325.151601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.151601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.151601 (E_RNA)
where:
Base-Base interactions energy: -175.916
where: short stacking energy: -92.991
Base-Backbone interact. energy: 2.682
local terms energy: -151.917483
where:
bonds (distance) C4'-P energy: -41.718
bonds (distance) P-C4' energy: -47.514
flat angles C4'-P-C4' energy: -42.045
flat angles P-C4'-P energy: -17.455
tors. eta vs tors. theta energy: -3.186
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: 10
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -229.014585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.014585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.014585 (E_RNA)
where:
Base-Base interactions energy: -66.758
where: short stacking energy: -60.518
Base-Backbone interact. energy: -1.248
local terms energy: -161.008124
where:
bonds (distance) C4'-P energy: -41.071
bonds (distance) P-C4' energy: -51.650
flat angles C4'-P-C4' energy: -41.318
flat angles P-C4'-P energy: -30.273
tors. eta vs tors. theta energy: 3.305
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: 427
Temperature: 0.900000
Total energy: -889.448976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.448976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.448976 (E_RNA)
where:
Base-Base interactions energy: -609.152
where: short stacking energy: -270.418
Base-Backbone interact. energy: -1.685
local terms energy: -278.611898
where:
bonds (distance) C4'-P energy: -43.982
bonds (distance) P-C4' energy: -55.997
flat angles C4'-P-C4' energy: -57.130
flat angles P-C4'-P energy: -37.363
tors. eta vs tors. theta energy: -84.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -843.113190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.113190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.113190 (E_RNA)
where:
Base-Base interactions energy: -571.248
where: short stacking energy: -252.910
Base-Backbone interact. energy: -0.921
local terms energy: -270.944241
where:
bonds (distance) C4'-P energy: -51.058
bonds (distance) P-C4' energy: -55.988
flat angles C4'-P-C4' energy: -59.102
flat angles P-C4'-P energy: -37.067
tors. eta vs tors. theta energy: -67.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -856.683912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.683912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.683912 (E_RNA)
where:
Base-Base interactions energy: -591.078
where: short stacking energy: -257.838
Base-Backbone interact. energy: -0.371
local terms energy: -265.234954
where:
bonds (distance) C4'-P energy: -49.757
bonds (distance) P-C4' energy: -48.665
flat angles C4'-P-C4' energy: -55.465
flat angles P-C4'-P energy: -39.913
tors. eta vs tors. theta energy: -71.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -805.799588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.799588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.799588 (E_RNA)
where:
Base-Base interactions energy: -545.376
where: short stacking energy: -240.920
Base-Backbone interact. energy: -0.600
local terms energy: -259.823567
where:
bonds (distance) C4'-P energy: -54.873
bonds (distance) P-C4' energy: -52.547
flat angles C4'-P-C4' energy: -52.114
flat angles P-C4'-P energy: -30.073
tors. eta vs tors. theta energy: -70.217
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: 427
Temperature: 1.100000
Total energy: -751.348422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.348422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.348422 (E_RNA)
where:
Base-Base interactions energy: -498.437
where: short stacking energy: -207.909
Base-Backbone interact. energy: -1.211
local terms energy: -251.700996
where:
bonds (distance) C4'-P energy: -48.466
bonds (distance) P-C4' energy: -56.754
flat angles C4'-P-C4' energy: -53.175
flat angles P-C4'-P energy: -36.231
tors. eta vs tors. theta energy: -57.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -663.448362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.448362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.448362 (E_RNA)
where:
Base-Base interactions energy: -445.350
where: short stacking energy: -198.161
Base-Backbone interact. energy: -0.637
local terms energy: -217.461285
where:
bonds (distance) C4'-P energy: -45.957
bonds (distance) P-C4' energy: -52.536
flat angles C4'-P-C4' energy: -52.239
flat angles P-C4'-P energy: -29.844
tors. eta vs tors. theta energy: -36.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -644.014647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.014647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.014647 (E_RNA)
where:
Base-Base interactions energy: -430.983
where: short stacking energy: -195.545
Base-Backbone interact. energy: -0.774
local terms energy: -212.257445
where:
bonds (distance) C4'-P energy: -37.804
bonds (distance) P-C4' energy: -53.409
flat angles C4'-P-C4' energy: -45.803
flat angles P-C4'-P energy: -30.436
tors. eta vs tors. theta energy: -44.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -600.005652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.005652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.005652 (E_RNA)
where:
Base-Base interactions energy: -398.203
where: short stacking energy: -178.604
Base-Backbone interact. energy: 5.315
local terms energy: -207.117114
where:
bonds (distance) C4'-P energy: -37.246
bonds (distance) P-C4' energy: -53.250
flat angles C4'-P-C4' energy: -48.843
flat angles P-C4'-P energy: -22.931
tors. eta vs tors. theta energy: -44.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -318.311360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.311360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.311360 (E_RNA)
where:
Base-Base interactions energy: -169.204
where: short stacking energy: -78.314
Base-Backbone interact. energy: -0.430
local terms energy: -148.676809
where:
bonds (distance) C4'-P energy: -37.877
bonds (distance) P-C4' energy: -46.823
flat angles C4'-P-C4' energy: -35.595
flat angles P-C4'-P energy: -31.511
tors. eta vs tors. theta energy: 3.131
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: 10
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -243.973053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.973053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.973053 (E_RNA)
where:
Base-Base interactions energy: -96.881
where: short stacking energy: -71.324
Base-Backbone interact. energy: -1.371
local terms energy: -145.721646
where:
bonds (distance) C4'-P energy: -41.522
bonds (distance) P-C4' energy: -47.556
flat angles C4'-P-C4' energy: -30.487
flat angles P-C4'-P energy: -25.886
tors. eta vs tors. theta energy: -0.272
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: 2
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -897.342561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.342561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.342561 (E_RNA)
where:
Base-Base interactions energy: -606.926
where: short stacking energy: -275.629
Base-Backbone interact. energy: -0.547
local terms energy: -289.869683
where:
bonds (distance) C4'-P energy: -58.081
bonds (distance) P-C4' energy: -50.151
flat angles C4'-P-C4' energy: -60.434
flat angles P-C4'-P energy: -40.152
tors. eta vs tors. theta energy: -81.052
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: 4
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -850.626590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.626590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.626590 (E_RNA)
where:
Base-Base interactions energy: -563.518
where: short stacking energy: -252.455
Base-Backbone interact. energy: 1.144
local terms energy: -288.252897
where:
bonds (distance) C4'-P energy: -54.107
bonds (distance) P-C4' energy: -57.800
flat angles C4'-P-C4' energy: -62.545
flat angles P-C4'-P energy: -41.273
tors. eta vs tors. theta energy: -72.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -878.939311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.939311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.939311 (E_RNA)
where:
Base-Base interactions energy: -612.596
where: short stacking energy: -266.111
Base-Backbone interact. energy: 1.818
local terms energy: -268.161602
where:
bonds (distance) C4'-P energy: -50.625
bonds (distance) P-C4' energy: -46.950
flat angles C4'-P-C4' energy: -55.162
flat angles P-C4'-P energy: -42.748
tors. eta vs tors. theta energy: -72.676
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: 5
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -788.772661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.772661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.772661 (E_RNA)
where:
Base-Base interactions energy: -545.980
where: short stacking energy: -244.057
Base-Backbone interact. energy: -0.116
local terms energy: -242.676775
where:
bonds (distance) C4'-P energy: -36.503
bonds (distance) P-C4' energy: -52.528
flat angles C4'-P-C4' energy: -59.079
flat angles P-C4'-P energy: -32.344
tors. eta vs tors. theta energy: -62.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -752.264840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.264840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.264840 (E_RNA)
where:
Base-Base interactions energy: -525.244
where: short stacking energy: -230.478
Base-Backbone interact. energy: 1.134
local terms energy: -228.154755
where:
bonds (distance) C4'-P energy: -49.146
bonds (distance) P-C4' energy: -48.214
flat angles C4'-P-C4' energy: -46.445
flat angles P-C4'-P energy: -30.469
tors. eta vs tors. theta energy: -53.881
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: 7
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -676.769256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.769256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.769256 (E_RNA)
where:
Base-Base interactions energy: -454.503
where: short stacking energy: -205.331
Base-Backbone interact. energy: 1.160
local terms energy: -223.426146
where:
bonds (distance) C4'-P energy: -44.345
bonds (distance) P-C4' energy: -50.233
flat angles C4'-P-C4' energy: -50.382
flat angles P-C4'-P energy: -28.572
tors. eta vs tors. theta energy: -49.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -653.031307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.031307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.031307 (E_RNA)
where:
Base-Base interactions energy: -422.466
where: short stacking energy: -197.257
Base-Backbone interact. energy: -1.119
local terms energy: -229.446149
where:
bonds (distance) C4'-P energy: -34.601
bonds (distance) P-C4' energy: -54.724
flat angles C4'-P-C4' energy: -45.703
flat angles P-C4'-P energy: -39.796
tors. eta vs tors. theta energy: -54.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -569.923645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.923645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.923645 (E_RNA)
where:
Base-Base interactions energy: -380.945
where: short stacking energy: -155.596
Base-Backbone interact. energy: -0.966
local terms energy: -188.012684
where:
bonds (distance) C4'-P energy: -39.197
bonds (distance) P-C4' energy: -39.580
flat angles C4'-P-C4' energy: -48.522
flat angles P-C4'-P energy: -29.364
tors. eta vs tors. theta energy: -31.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -253.311648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.311648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.311648 (E_RNA)
where:
Base-Base interactions energy: -114.171
where: short stacking energy: -82.883
Base-Backbone interact. energy: 1.338
local terms energy: -140.478784
where:
bonds (distance) C4'-P energy: -53.094
bonds (distance) P-C4' energy: -38.620
flat angles C4'-P-C4' energy: -34.937
flat angles P-C4'-P energy: -13.963
tors. eta vs tors. theta energy: 0.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -295.443368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.443368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.443368 (E_RNA)
where:
Base-Base interactions energy: -145.797
where: short stacking energy: -85.517
Base-Backbone interact. energy: 2.294
local terms energy: -151.939707
where:
bonds (distance) C4'-P energy: -44.913
bonds (distance) P-C4' energy: -49.086
flat angles C4'-P-C4' energy: -27.764
flat angles P-C4'-P energy: -23.713
tors. eta vs tors. theta energy: -6.464
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: 429
Temperature: 0.900000
Total energy: -924.968632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.968632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.968632 (E_RNA)
where:
Base-Base interactions energy: -630.093
where: short stacking energy: -284.619
Base-Backbone interact. energy: -1.021
local terms energy: -293.854416
where:
bonds (distance) C4'-P energy: -53.954
bonds (distance) P-C4' energy: -57.829
flat angles C4'-P-C4' energy: -61.182
flat angles P-C4'-P energy: -40.722
tors. eta vs tors. theta energy: -80.167
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: 3
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -871.490122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.490122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.490122 (E_RNA)
where:
Base-Base interactions energy: -604.332
where: short stacking energy: -270.069
Base-Backbone interact. energy: -0.628
local terms energy: -266.530565
where:
bonds (distance) C4'-P energy: -46.987
bonds (distance) P-C4' energy: -51.831
flat angles C4'-P-C4' energy: -52.679
flat angles P-C4'-P energy: -38.753
tors. eta vs tors. theta energy: -76.281
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: 4
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -829.514174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.514174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.514174 (E_RNA)
where:
Base-Base interactions energy: -564.041
where: short stacking energy: -252.284
Base-Backbone interact. energy: -1.587
local terms energy: -263.886157
where:
bonds (distance) C4'-P energy: -51.656
bonds (distance) P-C4' energy: -54.820
flat angles C4'-P-C4' energy: -51.254
flat angles P-C4'-P energy: -40.753
tors. eta vs tors. theta energy: -65.403
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: 6
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -768.581624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.581624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.581624 (E_RNA)
where:
Base-Base interactions energy: -515.526
where: short stacking energy: -245.407
Base-Backbone interact. energy: -1.609
local terms energy: -251.445944
where:
bonds (distance) C4'-P energy: -46.323
bonds (distance) P-C4' energy: -48.711
flat angles C4'-P-C4' energy: -54.194
flat angles P-C4'-P energy: -39.281
tors. eta vs tors. theta energy: -62.937
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: 5, replica: 5
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -793.443188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.443188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.443188 (E_RNA)
where:
Base-Base interactions energy: -545.965
where: short stacking energy: -233.064
Base-Backbone interact. energy: 0.652
local terms energy: -248.130542
where:
bonds (distance) C4'-P energy: -42.716
bonds (distance) P-C4' energy: -57.947
flat angles C4'-P-C4' energy: -58.605
flat angles P-C4'-P energy: -31.198
tors. eta vs tors. theta energy: -57.664
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: 7
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -671.224130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.224130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.224130 (E_RNA)
where:
Base-Base interactions energy: -448.400
where: short stacking energy: -209.075
Base-Backbone interact. energy: -0.187
local terms energy: -222.637702
where:
bonds (distance) C4'-P energy: -43.138
bonds (distance) P-C4' energy: -50.574
flat angles C4'-P-C4' energy: -48.887
flat angles P-C4'-P energy: -25.807
tors. eta vs tors. theta energy: -54.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -663.712358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.712358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.712358 (E_RNA)
where:
Base-Base interactions energy: -447.702
where: short stacking energy: -211.853
Base-Backbone interact. energy: 8.292
local terms energy: -224.302746
where:
bonds (distance) C4'-P energy: -50.531
bonds (distance) P-C4' energy: -50.188
flat angles C4'-P-C4' energy: -47.457
flat angles P-C4'-P energy: -27.994
tors. eta vs tors. theta energy: -48.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -550.723419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.723419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.723419 (E_RNA)
where:
Base-Base interactions energy: -353.520
where: short stacking energy: -148.214
Base-Backbone interact. energy: -0.740
local terms energy: -196.463807
where:
bonds (distance) C4'-P energy: -44.997
bonds (distance) P-C4' energy: -48.463
flat angles C4'-P-C4' energy: -47.619
flat angles P-C4'-P energy: -23.564
tors. eta vs tors. theta energy: -31.820
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: 10
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -251.201633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.201633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.201633 (E_RNA)
where:
Base-Base interactions energy: -92.061
where: short stacking energy: -75.915
Base-Backbone interact. energy: 0.864
local terms energy: -160.004778
where:
bonds (distance) C4'-P energy: -45.104
bonds (distance) P-C4' energy: -55.282
flat angles C4'-P-C4' energy: -41.863
flat angles P-C4'-P energy: -24.008
tors. eta vs tors. theta energy: 6.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -281.030536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.030536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.030536 (E_RNA)
where:
Base-Base interactions energy: -129.533
where: short stacking energy: -82.615
Base-Backbone interact. energy: -0.785
local terms energy: -150.712864
where:
bonds (distance) C4'-P energy: -43.139
bonds (distance) P-C4' energy: -45.743
flat angles C4'-P-C4' energy: -39.165
flat angles P-C4'-P energy: -21.930
tors. eta vs tors. theta energy: -0.737
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: 430
Temperature: 0.900000
Total energy: -894.484501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.484501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.484501 (E_RNA)
where:
Base-Base interactions energy: -597.419
where: short stacking energy: -270.109
Base-Backbone interact. energy: 0.009
local terms energy: -297.074067
where:
bonds (distance) C4'-P energy: -55.078
bonds (distance) P-C4' energy: -58.243
flat angles C4'-P-C4' energy: -61.295
flat angles P-C4'-P energy: -43.126
tors. eta vs tors. theta energy: -79.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -855.474877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.474877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.474877 (E_RNA)
where:
Base-Base interactions energy: -583.359
where: short stacking energy: -253.211
Base-Backbone interact. energy: -0.011
local terms energy: -272.104739
where:
bonds (distance) C4'-P energy: -45.949
bonds (distance) P-C4' energy: -46.746
flat angles C4'-P-C4' energy: -62.801
flat angles P-C4'-P energy: -43.977
tors. eta vs tors. theta energy: -72.632
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: 430
Temperature: 1.000000
Total energy: -820.625506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.625506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.625506 (E_RNA)
where:
Base-Base interactions energy: -573.532
where: short stacking energy: -250.109
Base-Backbone interact. energy: -1.159
local terms energy: -245.935329
where:
bonds (distance) C4'-P energy: -35.846
bonds (distance) P-C4' energy: -48.322
flat angles C4'-P-C4' energy: -59.642
flat angles P-C4'-P energy: -34.063
tors. eta vs tors. theta energy: -68.063
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: 6
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -765.810872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.810872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.810872 (E_RNA)
where:
Base-Base interactions energy: -508.984
where: short stacking energy: -248.686
Base-Backbone interact. energy: -1.680
local terms energy: -255.146537
where:
bonds (distance) C4'-P energy: -47.485
bonds (distance) P-C4' energy: -45.464
flat angles C4'-P-C4' energy: -55.517
flat angles P-C4'-P energy: -34.791
tors. eta vs tors. theta energy: -71.889
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: 5, replica: 5
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -781.821438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.821438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.821438 (E_RNA)
where:
Base-Base interactions energy: -547.822
where: short stacking energy: -233.346
Base-Backbone interact. energy: 0.237
local terms energy: -234.236078
where:
bonds (distance) C4'-P energy: -49.159
bonds (distance) P-C4' energy: -40.882
flat angles C4'-P-C4' energy: -46.124
flat angles P-C4'-P energy: -37.608
tors. eta vs tors. theta energy: -60.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -668.668286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.668286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.668286 (E_RNA)
where:
Base-Base interactions energy: -456.794
where: short stacking energy: -200.684
Base-Backbone interact. energy: 0.409
local terms energy: -212.282930
where:
bonds (distance) C4'-P energy: -44.545
bonds (distance) P-C4' energy: -31.207
flat angles C4'-P-C4' energy: -52.492
flat angles P-C4'-P energy: -28.949
tors. eta vs tors. theta energy: -55.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -668.339322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.339322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.339322 (E_RNA)
where:
Base-Base interactions energy: -452.685
where: short stacking energy: -191.841
Base-Backbone interact. energy: -1.390
local terms energy: -214.264531
where:
bonds (distance) C4'-P energy: -51.137
bonds (distance) P-C4' energy: -46.364
flat angles C4'-P-C4' energy: -43.945
flat angles P-C4'-P energy: -32.067
tors. eta vs tors. theta energy: -40.752
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: 8
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -583.431933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.431933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.431933 (E_RNA)
where:
Base-Base interactions energy: -378.242
where: short stacking energy: -179.726
Base-Backbone interact. energy: -0.220
local terms energy: -204.970082
where:
bonds (distance) C4'-P energy: -48.970
bonds (distance) P-C4' energy: -42.389
flat angles C4'-P-C4' energy: -41.139
flat angles P-C4'-P energy: -28.644
tors. eta vs tors. theta energy: -43.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -346.431088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.431088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.431088 (E_RNA)
where:
Base-Base interactions energy: -168.962
where: short stacking energy: -84.193
Base-Backbone interact. energy: -2.009
local terms energy: -175.460829
where:
bonds (distance) C4'-P energy: -47.273
bonds (distance) P-C4' energy: -54.650
flat angles C4'-P-C4' energy: -43.273
flat angles P-C4'-P energy: -23.385
tors. eta vs tors. theta energy: -6.880
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: 10
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -226.660630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.660630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.660630 (E_RNA)
where:
Base-Base interactions energy: -71.003
where: short stacking energy: -60.099
Base-Backbone interact. energy: 0.876
local terms energy: -156.533648
where:
bonds (distance) C4'-P energy: -50.943
bonds (distance) P-C4' energy: -49.929
flat angles C4'-P-C4' energy: -37.339
flat angles P-C4'-P energy: -25.729
tors. eta vs tors. theta energy: 7.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -906.563370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.563370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.563370 (E_RNA)
where:
Base-Base interactions energy: -608.206
where: short stacking energy: -279.317
Base-Backbone interact. energy: 1.774
local terms energy: -300.131091
where:
bonds (distance) C4'-P energy: -58.315
bonds (distance) P-C4' energy: -54.547
flat angles C4'-P-C4' energy: -62.316
flat angles P-C4'-P energy: -41.892
tors. eta vs tors. theta energy: -83.062
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: 3
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -856.472489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.472489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.472489 (E_RNA)
where:
Base-Base interactions energy: -599.131
where: short stacking energy: -247.493
Base-Backbone interact. energy: 0.039
local terms energy: -257.380443
where:
bonds (distance) C4'-P energy: -55.560
bonds (distance) P-C4' energy: -48.963
flat angles C4'-P-C4' energy: -49.962
flat angles P-C4'-P energy: -38.585
tors. eta vs tors. theta energy: -64.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -829.889501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.889501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.889501 (E_RNA)
where:
Base-Base interactions energy: -568.304
where: short stacking energy: -245.992
Base-Backbone interact. energy: -0.457
local terms energy: -261.127857
where:
bonds (distance) C4'-P energy: -52.750
bonds (distance) P-C4' energy: -43.711
flat angles C4'-P-C4' energy: -56.393
flat angles P-C4'-P energy: -40.523
tors. eta vs tors. theta energy: -67.751
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: 5
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -807.562290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.562290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.562290 (E_RNA)
where:
Base-Base interactions energy: -549.199
where: short stacking energy: -252.784
Base-Backbone interact. energy: -0.734
local terms energy: -257.629761
where:
bonds (distance) C4'-P energy: -53.273
bonds (distance) P-C4' energy: -53.007
flat angles C4'-P-C4' energy: -46.260
flat angles P-C4'-P energy: -37.167
tors. eta vs tors. theta energy: -67.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -768.391912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.391912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.391912 (E_RNA)
where:
Base-Base interactions energy: -513.145
where: short stacking energy: -221.265
Base-Backbone interact. energy: -1.626
local terms energy: -253.621485
where:
bonds (distance) C4'-P energy: -52.641
bonds (distance) P-C4' energy: -48.935
flat angles C4'-P-C4' energy: -49.622
flat angles P-C4'-P energy: -42.633
tors. eta vs tors. theta energy: -59.790
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: 6, replica: 7
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -666.788419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.788419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.788419 (E_RNA)
where:
Base-Base interactions energy: -442.480
where: short stacking energy: -204.417
Base-Backbone interact. energy: -0.111
local terms energy: -224.198198
where:
bonds (distance) C4'-P energy: -46.201
bonds (distance) P-C4' energy: -45.161
flat angles C4'-P-C4' energy: -55.830
flat angles P-C4'-P energy: -32.588
tors. eta vs tors. theta energy: -44.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -651.057769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.057769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.057769 (E_RNA)
where:
Base-Base interactions energy: -441.102
where: short stacking energy: -191.025
Base-Backbone interact. energy: -0.645
local terms energy: -209.310841
where:
bonds (distance) C4'-P energy: -41.513
bonds (distance) P-C4' energy: -47.451
flat angles C4'-P-C4' energy: -48.313
flat angles P-C4'-P energy: -23.381
tors. eta vs tors. theta energy: -48.653
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: 8
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -580.835405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.835405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.835405 (E_RNA)
where:
Base-Base interactions energy: -367.138
where: short stacking energy: -172.198
Base-Backbone interact. energy: -0.744
local terms energy: -212.952893
where:
bonds (distance) C4'-P energy: -45.611
bonds (distance) P-C4' energy: -49.915
flat angles C4'-P-C4' energy: -47.613
flat angles P-C4'-P energy: -31.644
tors. eta vs tors. theta energy: -38.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -327.009334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.009334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.009334 (E_RNA)
where:
Base-Base interactions energy: -157.151
where: short stacking energy: -96.297
Base-Backbone interact. energy: -1.532
local terms energy: -168.326275
where:
bonds (distance) C4'-P energy: -42.782
bonds (distance) P-C4' energy: -55.481
flat angles C4'-P-C4' energy: -41.033
flat angles P-C4'-P energy: -23.957
tors. eta vs tors. theta energy: -5.073
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: 10, replica: 10
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -215.449761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.449761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.449761 (E_RNA)
where:
Base-Base interactions energy: -85.301
where: short stacking energy: -44.395
Base-Backbone interact. energy: -1.410
local terms energy: -128.739350
where:
bonds (distance) C4'-P energy: -31.299
bonds (distance) P-C4' energy: -46.508
flat angles C4'-P-C4' energy: -46.286
flat angles P-C4'-P energy: -13.890
tors. eta vs tors. theta energy: 9.244
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: 432
Temperature: 0.900000
Total energy: -890.129300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.129300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.129300 (E_RNA)
where:
Base-Base interactions energy: -603.593
where: short stacking energy: -261.247
Base-Backbone interact. energy: -0.114
local terms energy: -286.422105
where:
bonds (distance) C4'-P energy: -57.711
bonds (distance) P-C4' energy: -60.231
flat angles C4'-P-C4' energy: -59.271
flat angles P-C4'-P energy: -37.382
tors. eta vs tors. theta energy: -71.827
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: 3
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -863.489598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.489598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.489598 (E_RNA)
where:
Base-Base interactions energy: -591.921
where: short stacking energy: -251.928
Base-Backbone interact. energy: -1.037
local terms energy: -270.530705
where:
bonds (distance) C4'-P energy: -54.919
bonds (distance) P-C4' energy: -58.147
flat angles C4'-P-C4' energy: -54.523
flat angles P-C4'-P energy: -32.120
tors. eta vs tors. theta energy: -70.822
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: 5
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -816.044587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.044587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.044587 (E_RNA)
where:
Base-Base interactions energy: -563.674
where: short stacking energy: -238.988
Base-Backbone interact. energy: -0.399
local terms energy: -251.971104
where:
bonds (distance) C4'-P energy: -47.934
bonds (distance) P-C4' energy: -56.452
flat angles C4'-P-C4' energy: -54.876
flat angles P-C4'-P energy: -32.408
tors. eta vs tors. theta energy: -60.300
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: 4
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -793.815086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.815086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.815086 (E_RNA)
where:
Base-Base interactions energy: -542.933
where: short stacking energy: -230.856
Base-Backbone interact. energy: 2.887
local terms energy: -253.768493
where:
bonds (distance) C4'-P energy: -48.823
bonds (distance) P-C4' energy: -52.260
flat angles C4'-P-C4' energy: -49.884
flat angles P-C4'-P energy: -33.912
tors. eta vs tors. theta energy: -68.889
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: 5, replica: 7
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -711.137087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.137087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.137087 (E_RNA)
where:
Base-Base interactions energy: -479.649
where: short stacking energy: -219.536
Base-Backbone interact. energy: -0.798
local terms energy: -230.690200
where:
bonds (distance) C4'-P energy: -51.462
bonds (distance) P-C4' energy: -48.739
flat angles C4'-P-C4' energy: -45.697
flat angles P-C4'-P energy: -24.686
tors. eta vs tors. theta energy: -60.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -723.921593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.921593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.921593 (E_RNA)
where:
Base-Base interactions energy: -498.390
where: short stacking energy: -214.682
Base-Backbone interact. energy: -1.074
local terms energy: -224.457554
where:
bonds (distance) C4'-P energy: -39.568
bonds (distance) P-C4' energy: -46.257
flat angles C4'-P-C4' energy: -51.538
flat angles P-C4'-P energy: -29.259
tors. eta vs tors. theta energy: -57.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -629.332739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.332739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.332739 (E_RNA)
where:
Base-Base interactions energy: -417.539
where: short stacking energy: -180.217
Base-Backbone interact. energy: -1.280
local terms energy: -210.513610
where:
bonds (distance) C4'-P energy: -39.598
bonds (distance) P-C4' energy: -47.497
flat angles C4'-P-C4' energy: -59.172
flat angles P-C4'-P energy: -28.077
tors. eta vs tors. theta energy: -36.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -588.260935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.260935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.260935 (E_RNA)
where:
Base-Base interactions energy: -384.042
where: short stacking energy: -156.401
Base-Backbone interact. energy: -0.221
local terms energy: -203.997994
where:
bonds (distance) C4'-P energy: -48.905
bonds (distance) P-C4' energy: -42.794
flat angles C4'-P-C4' energy: -38.836
flat angles P-C4'-P energy: -35.564
tors. eta vs tors. theta energy: -37.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -344.813719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.813719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.813719 (E_RNA)
where:
Base-Base interactions energy: -174.576
where: short stacking energy: -94.448
Base-Backbone interact. energy: 0.755
local terms energy: -170.992407
where:
bonds (distance) C4'-P energy: -47.771
bonds (distance) P-C4' energy: -51.154
flat angles C4'-P-C4' energy: -46.934
flat angles P-C4'-P energy: -14.421
tors. eta vs tors. theta energy: -10.713
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: 10
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -243.947161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.947161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.947161 (E_RNA)
where:
Base-Base interactions energy: -95.307
where: short stacking energy: -94.778
Base-Backbone interact. energy: 3.657
local terms energy: -152.297205
where:
bonds (distance) C4'-P energy: -44.963
bonds (distance) P-C4' energy: -44.845
flat angles C4'-P-C4' energy: -36.984
flat angles P-C4'-P energy: -22.595
tors. eta vs tors. theta energy: -2.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -900.548323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.548323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.548323 (E_RNA)
where:
Base-Base interactions energy: -615.928
where: short stacking energy: -269.493
Base-Backbone interact. energy: -0.518
local terms energy: -284.102193
where:
bonds (distance) C4'-P energy: -51.373
bonds (distance) P-C4' energy: -55.196
flat angles C4'-P-C4' energy: -59.692
flat angles P-C4'-P energy: -38.388
tors. eta vs tors. theta energy: -79.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -836.486660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.486660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.486660 (E_RNA)
where:
Base-Base interactions energy: -578.724
where: short stacking energy: -244.607
Base-Backbone interact. energy: -0.964
local terms energy: -256.798101
where:
bonds (distance) C4'-P energy: -43.623
bonds (distance) P-C4' energy: -54.913
flat angles C4'-P-C4' energy: -54.819
flat angles P-C4'-P energy: -42.792
tors. eta vs tors. theta energy: -60.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -852.964859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.964859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.964859 (E_RNA)
where:
Base-Base interactions energy: -592.150
where: short stacking energy: -250.577
Base-Backbone interact. energy: 1.664
local terms energy: -262.479594
where:
bonds (distance) C4'-P energy: -42.196
bonds (distance) P-C4' energy: -55.110
flat angles C4'-P-C4' energy: -58.309
flat angles P-C4'-P energy: -37.909
tors. eta vs tors. theta energy: -68.956
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: 433
Temperature: 1.050000
Total energy: -801.445500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.445500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.445500 (E_RNA)
where:
Base-Base interactions energy: -556.353
where: short stacking energy: -238.218
Base-Backbone interact. energy: -0.219
local terms energy: -244.873878
where:
bonds (distance) C4'-P energy: -47.382
bonds (distance) P-C4' energy: -43.853
flat angles C4'-P-C4' energy: -56.515
flat angles P-C4'-P energy: -34.875
tors. eta vs tors. theta energy: -62.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -700.140175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.140175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.140175 (E_RNA)
where:
Base-Base interactions energy: -452.361
where: short stacking energy: -190.379
Base-Backbone interact. energy: -0.560
local terms energy: -247.219426
where:
bonds (distance) C4'-P energy: -47.367
bonds (distance) P-C4' energy: -59.726
flat angles C4'-P-C4' energy: -50.281
flat angles P-C4'-P energy: -40.038
tors. eta vs tors. theta energy: -49.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -709.841727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.841727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.841727 (E_RNA)
where:
Base-Base interactions energy: -474.913
where: short stacking energy: -219.551
Base-Backbone interact. energy: -1.421
local terms energy: -233.508166
where:
bonds (distance) C4'-P energy: -43.727
bonds (distance) P-C4' energy: -52.392
flat angles C4'-P-C4' energy: -50.535
flat angles P-C4'-P energy: -33.372
tors. eta vs tors. theta energy: -53.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -645.726099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.726099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.726099 (E_RNA)
where:
Base-Base interactions energy: -425.532
where: short stacking energy: -174.171
Base-Backbone interact. energy: -3.428
local terms energy: -216.765686
where:
bonds (distance) C4'-P energy: -42.494
bonds (distance) P-C4' energy: -49.937
flat angles C4'-P-C4' energy: -45.690
flat angles P-C4'-P energy: -34.873
tors. eta vs tors. theta energy: -43.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -550.940349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.940349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.940349 (E_RNA)
where:
Base-Base interactions energy: -365.441
where: short stacking energy: -156.779
Base-Backbone interact. energy: -0.091
local terms energy: -185.408007
where:
bonds (distance) C4'-P energy: -44.647
bonds (distance) P-C4' energy: -39.823
flat angles C4'-P-C4' energy: -38.462
flat angles P-C4'-P energy: -26.125
tors. eta vs tors. theta energy: -36.351
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: 9
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -312.852342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.852342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.852342 (E_RNA)
where:
Base-Base interactions energy: -132.282
where: short stacking energy: -82.976
Base-Backbone interact. energy: -0.119
local terms energy: -180.451338
where:
bonds (distance) C4'-P energy: -45.513
bonds (distance) P-C4' energy: -49.154
flat angles C4'-P-C4' energy: -40.245
flat angles P-C4'-P energy: -33.514
tors. eta vs tors. theta energy: -12.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -223.262941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.262941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.262941 (E_RNA)
where:
Base-Base interactions energy: -78.483
where: short stacking energy: -56.885
Base-Backbone interact. energy: 1.085
local terms energy: -145.865331
where:
bonds (distance) C4'-P energy: -37.544
bonds (distance) P-C4' energy: -53.642
flat angles C4'-P-C4' energy: -42.402
flat angles P-C4'-P energy: -25.632
tors. eta vs tors. theta energy: 13.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -910.877822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.877822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.877822 (E_RNA)
where:
Base-Base interactions energy: -626.975
where: short stacking energy: -279.753
Base-Backbone interact. energy: -0.256
local terms energy: -283.646817
where:
bonds (distance) C4'-P energy: -52.334
bonds (distance) P-C4' energy: -61.897
flat angles C4'-P-C4' energy: -52.470
flat angles P-C4'-P energy: -41.886
tors. eta vs tors. theta energy: -75.059
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: 5
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -852.416498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.416498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.416498 (E_RNA)
where:
Base-Base interactions energy: -566.849
where: short stacking energy: -261.373
Base-Backbone interact. energy: 0.136
local terms energy: -285.703286
where:
bonds (distance) C4'-P energy: -56.668
bonds (distance) P-C4' energy: -54.045
flat angles C4'-P-C4' energy: -56.500
flat angles P-C4'-P energy: -42.964
tors. eta vs tors. theta energy: -75.526
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: 3
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -875.336938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.336938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.336938 (E_RNA)
where:
Base-Base interactions energy: -597.886
where: short stacking energy: -252.341
Base-Backbone interact. energy: -1.766
local terms energy: -275.684759
where:
bonds (distance) C4'-P energy: -50.556
bonds (distance) P-C4' energy: -56.101
flat angles C4'-P-C4' energy: -58.273
flat angles P-C4'-P energy: -39.614
tors. eta vs tors. theta energy: -71.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -739.986895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.986895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.986895 (E_RNA)
where:
Base-Base interactions energy: -505.780
where: short stacking energy: -205.866
Base-Backbone interact. energy: -0.967
local terms energy: -233.239166
where:
bonds (distance) C4'-P energy: -51.297
bonds (distance) P-C4' energy: -54.805
flat angles C4'-P-C4' energy: -48.718
flat angles P-C4'-P energy: -28.583
tors. eta vs tors. theta energy: -49.837
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: 7
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -697.236561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.236561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.236561 (E_RNA)
where:
Base-Base interactions energy: -457.516
where: short stacking energy: -191.375
Base-Backbone interact. energy: -0.831
local terms energy: -238.889283
where:
bonds (distance) C4'-P energy: -51.952
bonds (distance) P-C4' energy: -52.639
flat angles C4'-P-C4' energy: -55.118
flat angles P-C4'-P energy: -31.307
tors. eta vs tors. theta energy: -47.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -714.117223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.117223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.117223 (E_RNA)
where:
Base-Base interactions energy: -461.614
where: short stacking energy: -212.926
Base-Backbone interact. energy: -0.498
local terms energy: -252.005526
where:
bonds (distance) C4'-P energy: -46.436
bonds (distance) P-C4' energy: -49.475
flat angles C4'-P-C4' energy: -53.343
flat angles P-C4'-P energy: -41.093
tors. eta vs tors. theta energy: -61.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -618.020949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.020949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.020949 (E_RNA)
where:
Base-Base interactions energy: -403.937
where: short stacking energy: -177.395
Base-Backbone interact. energy: 1.723
local terms energy: -215.807230
where:
bonds (distance) C4'-P energy: -43.170
bonds (distance) P-C4' energy: -52.245
flat angles C4'-P-C4' energy: -50.853
flat angles P-C4'-P energy: -35.269
tors. eta vs tors. theta energy: -34.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -588.236752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.236752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.236752 (E_RNA)
where:
Base-Base interactions energy: -379.807
where: short stacking energy: -168.091
Base-Backbone interact. energy: -0.427
local terms energy: -208.002357
where:
bonds (distance) C4'-P energy: -37.165
bonds (distance) P-C4' energy: -54.833
flat angles C4'-P-C4' energy: -49.968
flat angles P-C4'-P energy: -30.025
tors. eta vs tors. theta energy: -36.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -323.411427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.411427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.411427 (E_RNA)
where:
Base-Base interactions energy: -166.285
where: short stacking energy: -118.887
Base-Backbone interact. energy: 4.360
local terms energy: -161.487008
where:
bonds (distance) C4'-P energy: -35.636
bonds (distance) P-C4' energy: -49.282
flat angles C4'-P-C4' energy: -45.451
flat angles P-C4'-P energy: -22.509
tors. eta vs tors. theta energy: -8.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -233.082264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.082264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.082264 (E_RNA)
where:
Base-Base interactions energy: -83.789
where: short stacking energy: -67.348
Base-Backbone interact. energy: 2.249
local terms energy: -151.541696
where:
bonds (distance) C4'-P energy: -45.499
bonds (distance) P-C4' energy: -43.517
flat angles C4'-P-C4' energy: -37.416
flat angles P-C4'-P energy: -24.541
tors. eta vs tors. theta energy: -0.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -899.125247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.125247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.125247 (E_RNA)
where:
Base-Base interactions energy: -612.680
where: short stacking energy: -280.386
Base-Backbone interact. energy: -0.756
local terms energy: -285.689786
where:
bonds (distance) C4'-P energy: -52.335
bonds (distance) P-C4' energy: -59.230
flat angles C4'-P-C4' energy: -61.423
flat angles P-C4'-P energy: -31.255
tors. eta vs tors. theta energy: -81.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -860.863836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.863836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.863836 (E_RNA)
where:
Base-Base interactions energy: -588.462
where: short stacking energy: -266.143
Base-Backbone interact. energy: -1.344
local terms energy: -271.058453
where:
bonds (distance) C4'-P energy: -50.668
bonds (distance) P-C4' energy: -50.926
flat angles C4'-P-C4' energy: -58.111
flat angles P-C4'-P energy: -37.407
tors. eta vs tors. theta energy: -73.946
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: 3
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -876.029901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.029901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.029901 (E_RNA)
where:
Base-Base interactions energy: -593.540
where: short stacking energy: -259.487
Base-Backbone interact. energy: 2.321
local terms energy: -284.811385
where:
bonds (distance) C4'-P energy: -46.637
bonds (distance) P-C4' energy: -54.943
flat angles C4'-P-C4' energy: -64.097
flat angles P-C4'-P energy: -34.773
tors. eta vs tors. theta energy: -84.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -735.893833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.893833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.893833 (E_RNA)
where:
Base-Base interactions energy: -491.221
where: short stacking energy: -212.752
Base-Backbone interact. energy: -1.262
local terms energy: -243.410956
where:
bonds (distance) C4'-P energy: -44.899
bonds (distance) P-C4' energy: -54.813
flat angles C4'-P-C4' energy: -61.871
flat angles P-C4'-P energy: -32.505
tors. eta vs tors. theta energy: -49.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -700.402170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.402170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.402170 (E_RNA)
where:
Base-Base interactions energy: -472.535
where: short stacking energy: -192.373
Base-Backbone interact. energy: -0.428
local terms energy: -227.439196
where:
bonds (distance) C4'-P energy: -45.193
bonds (distance) P-C4' energy: -47.970
flat angles C4'-P-C4' energy: -57.899
flat angles P-C4'-P energy: -28.080
tors. eta vs tors. theta energy: -48.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -706.777228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.777228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.777228 (E_RNA)
where:
Base-Base interactions energy: -492.232
where: short stacking energy: -212.358
Base-Backbone interact. energy: -0.136
local terms energy: -214.408978
where:
bonds (distance) C4'-P energy: -51.625
bonds (distance) P-C4' energy: -44.133
flat angles C4'-P-C4' energy: -43.277
flat angles P-C4'-P energy: -27.020
tors. eta vs tors. theta energy: -48.354
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: 7, replica: 8
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -634.112994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.112994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.112994 (E_RNA)
where:
Base-Base interactions energy: -423.635
where: short stacking energy: -191.314
Base-Backbone interact. energy: 1.325
local terms energy: -211.803018
where:
bonds (distance) C4'-P energy: -45.067
bonds (distance) P-C4' energy: -49.882
flat angles C4'-P-C4' energy: -39.414
flat angles P-C4'-P energy: -29.772
tors. eta vs tors. theta energy: -47.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -639.901727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.901727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.901727 (E_RNA)
where:
Base-Base interactions energy: -427.608
where: short stacking energy: -177.799
Base-Backbone interact. energy: -0.735
local terms energy: -211.559255
where:
bonds (distance) C4'-P energy: -45.978
bonds (distance) P-C4' energy: -39.659
flat angles C4'-P-C4' energy: -48.149
flat angles P-C4'-P energy: -38.485
tors. eta vs tors. theta energy: -39.288
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: 9, replica: 9
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -343.511681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.511681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.511681 (E_RNA)
where:
Base-Base interactions energy: -178.796
where: short stacking energy: -113.769
Base-Backbone interact. energy: -0.865
local terms energy: -163.850211
where:
bonds (distance) C4'-P energy: -37.224
bonds (distance) P-C4' energy: -45.837
flat angles C4'-P-C4' energy: -48.320
flat angles P-C4'-P energy: -19.028
tors. eta vs tors. theta energy: -13.441
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: 10, replica: 10
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -238.831393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.831393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.831393 (E_RNA)
where:
Base-Base interactions energy: -96.998
where: short stacking energy: -85.379
Base-Backbone interact. energy: 2.568
local terms energy: -144.400819
where:
bonds (distance) C4'-P energy: -40.934
bonds (distance) P-C4' energy: -43.293
flat angles C4'-P-C4' energy: -36.801
flat angles P-C4'-P energy: -21.932
tors. eta vs tors. theta energy: -1.441
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: 1, replica: 2
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -894.426292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.426292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.426292 (E_RNA)
where:
Base-Base interactions energy: -609.517
where: short stacking energy: -268.005
Base-Backbone interact. energy: -1.154
local terms energy: -283.755162
where:
bonds (distance) C4'-P energy: -58.765
bonds (distance) P-C4' energy: -47.049
flat angles C4'-P-C4' energy: -59.210
flat angles P-C4'-P energy: -41.551
tors. eta vs tors. theta energy: -77.179
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: 2, replica: 5
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -866.939605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.939605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.939605 (E_RNA)
where:
Base-Base interactions energy: -590.525
where: short stacking energy: -275.312
Base-Backbone interact. energy: -0.202
local terms energy: -276.212836
where:
bonds (distance) C4'-P energy: -48.717
bonds (distance) P-C4' energy: -55.464
flat angles C4'-P-C4' energy: -55.550
flat angles P-C4'-P energy: -37.527
tors. eta vs tors. theta energy: -78.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -874.811708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.811708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.811708 (E_RNA)
where:
Base-Base interactions energy: -620.115
where: short stacking energy: -267.192
Base-Backbone interact. energy: 1.903
local terms energy: -256.600373
where:
bonds (distance) C4'-P energy: -49.057
bonds (distance) P-C4' energy: -44.101
flat angles C4'-P-C4' energy: -59.658
flat angles P-C4'-P energy: -27.462
tors. eta vs tors. theta energy: -76.322
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: 4
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -713.338894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.338894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.338894 (E_RNA)
where:
Base-Base interactions energy: -485.522
where: short stacking energy: -203.481
Base-Backbone interact. energy: -1.298
local terms energy: -226.519014
where:
bonds (distance) C4'-P energy: -38.963
bonds (distance) P-C4' energy: -58.573
flat angles C4'-P-C4' energy: -51.138
flat angles P-C4'-P energy: -33.519
tors. eta vs tors. theta energy: -44.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -719.192526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.192526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.192526 (E_RNA)
where:
Base-Base interactions energy: -498.167
where: short stacking energy: -201.400
Base-Backbone interact. energy: -1.015
local terms energy: -220.011337
where:
bonds (distance) C4'-P energy: -53.434
bonds (distance) P-C4' energy: -43.006
flat angles C4'-P-C4' energy: -52.561
flat angles P-C4'-P energy: -29.765
tors. eta vs tors. theta energy: -41.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -660.940704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.940704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.940704 (E_RNA)
where:
Base-Base interactions energy: -436.531
where: short stacking energy: -194.637
Base-Backbone interact. energy: -1.020
local terms energy: -223.389876
where:
bonds (distance) C4'-P energy: -51.361
bonds (distance) P-C4' energy: -46.873
flat angles C4'-P-C4' energy: -41.974
flat angles P-C4'-P energy: -37.477
tors. eta vs tors. theta energy: -45.705
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: 1
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -623.427737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.427737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.427737 (E_RNA)
where:
Base-Base interactions energy: -410.335
where: short stacking energy: -172.483
Base-Backbone interact. energy: 0.603
local terms energy: -213.695853
where:
bonds (distance) C4'-P energy: -41.472
bonds (distance) P-C4' energy: -53.317
flat angles C4'-P-C4' energy: -52.696
flat angles P-C4'-P energy: -25.210
tors. eta vs tors. theta energy: -41.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -584.206364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.206364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.206364 (E_RNA)
where:
Base-Base interactions energy: -375.718
where: short stacking energy: -166.405
Base-Backbone interact. energy: -1.153
local terms energy: -207.335294
where:
bonds (distance) C4'-P energy: -51.096
bonds (distance) P-C4' energy: -42.917
flat angles C4'-P-C4' energy: -49.643
flat angles P-C4'-P energy: -41.098
tors. eta vs tors. theta energy: -22.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -257.615687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.615687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.615687 (E_RNA)
where:
Base-Base interactions energy: -97.870
where: short stacking energy: -79.386
Base-Backbone interact. energy: 3.739
local terms energy: -163.484777
where:
bonds (distance) C4'-P energy: -50.564
bonds (distance) P-C4' energy: -42.035
flat angles C4'-P-C4' energy: -49.897
flat angles P-C4'-P energy: -20.052
tors. eta vs tors. theta energy: -0.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -316.726470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.726470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.726470 (E_RNA)
where:
Base-Base interactions energy: -149.811
where: short stacking energy: -67.472
Base-Backbone interact. energy: 1.141
local terms energy: -168.056959
where:
bonds (distance) C4'-P energy: -55.308
bonds (distance) P-C4' energy: -50.483
flat angles C4'-P-C4' energy: -46.955
flat angles P-C4'-P energy: -19.321
tors. eta vs tors. theta energy: 4.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -908.591310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.591310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.591310 (E_RNA)
where:
Base-Base interactions energy: -617.162
where: short stacking energy: -278.869
Base-Backbone interact. energy: -0.494
local terms energy: -290.934991
where:
bonds (distance) C4'-P energy: -52.490
bonds (distance) P-C4' energy: -56.045
flat angles C4'-P-C4' energy: -59.373
flat angles P-C4'-P energy: -39.961
tors. eta vs tors. theta energy: -83.066
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: 2, replica: 3
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -877.357692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.357692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.357692 (E_RNA)
where:
Base-Base interactions energy: -607.450
where: short stacking energy: -255.048
Base-Backbone interact. energy: -2.070
local terms energy: -267.837868
where:
bonds (distance) C4'-P energy: -51.588
bonds (distance) P-C4' energy: -51.341
flat angles C4'-P-C4' energy: -57.468
flat angles P-C4'-P energy: -31.603
tors. eta vs tors. theta energy: -75.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -842.619845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.619845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.619845 (E_RNA)
where:
Base-Base interactions energy: -578.248
where: short stacking energy: -261.274
Base-Backbone interact. energy: -2.175
local terms energy: -262.197107
where:
bonds (distance) C4'-P energy: -46.758
bonds (distance) P-C4' energy: -43.674
flat angles C4'-P-C4' energy: -60.135
flat angles P-C4'-P energy: -43.194
tors. eta vs tors. theta energy: -68.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -733.572033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.572033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.572033 (E_RNA)
where:
Base-Base interactions energy: -505.483
where: short stacking energy: -212.723
Base-Backbone interact. energy: -0.386
local terms energy: -227.702589
where:
bonds (distance) C4'-P energy: -37.353
bonds (distance) P-C4' energy: -53.346
flat angles C4'-P-C4' energy: -53.606
flat angles P-C4'-P energy: -33.325
tors. eta vs tors. theta energy: -50.072
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: 7
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -649.173528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.173528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.173528 (E_RNA)
where:
Base-Base interactions energy: -412.154
where: short stacking energy: -197.943
Base-Backbone interact. energy: -0.565
local terms energy: -236.454894
where:
bonds (distance) C4'-P energy: -54.833
bonds (distance) P-C4' energy: -56.833
flat angles C4'-P-C4' energy: -48.875
flat angles P-C4'-P energy: -34.173
tors. eta vs tors. theta energy: -41.740
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: 6, replica: 1
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -668.172093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.172093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.172093 (E_RNA)
where:
Base-Base interactions energy: -444.782
where: short stacking energy: -193.655
Base-Backbone interact. energy: 1.590
local terms energy: -224.980131
where:
bonds (distance) C4'-P energy: -43.948
bonds (distance) P-C4' energy: -51.377
flat angles C4'-P-C4' energy: -50.567
flat angles P-C4'-P energy: -27.867
tors. eta vs tors. theta energy: -51.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -643.977891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.977891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.977891 (E_RNA)
where:
Base-Base interactions energy: -429.349
where: short stacking energy: -191.654
Base-Backbone interact. energy: -0.566
local terms energy: -214.063107
where:
bonds (distance) C4'-P energy: -45.080
bonds (distance) P-C4' energy: -39.006
flat angles C4'-P-C4' energy: -52.131
flat angles P-C4'-P energy: -34.486
tors. eta vs tors. theta energy: -43.360
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: 8, replica: 8
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -602.073398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.073398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.073398 (E_RNA)
where:
Base-Base interactions energy: -396.639
where: short stacking energy: -166.763
Base-Backbone interact. energy: -1.121
local terms energy: -204.312499
where:
bonds (distance) C4'-P energy: -43.602
bonds (distance) P-C4' energy: -48.456
flat angles C4'-P-C4' energy: -50.807
flat angles P-C4'-P energy: -28.874
tors. eta vs tors. theta energy: -32.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -272.540308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.540308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.540308 (E_RNA)
where:
Base-Base interactions energy: -113.646
where: short stacking energy: -78.179
Base-Backbone interact. energy: 0.734
local terms energy: -159.628374
where:
bonds (distance) C4'-P energy: -49.406
bonds (distance) P-C4' energy: -44.425
flat angles C4'-P-C4' energy: -35.843
flat angles P-C4'-P energy: -30.842
tors. eta vs tors. theta energy: 0.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -286.163803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.163803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.163803 (E_RNA)
where:
Base-Base interactions energy: -139.019
where: short stacking energy: -86.387
Base-Backbone interact. energy: 1.358
local terms energy: -148.503146
where:
bonds (distance) C4'-P energy: -38.054
bonds (distance) P-C4' energy: -54.161
flat angles C4'-P-C4' energy: -26.726
flat angles P-C4'-P energy: -25.532
tors. eta vs tors. theta energy: -4.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -905.473365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.473365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.473365 (E_RNA)
where:
Base-Base interactions energy: -615.578
where: short stacking energy: -276.413
Base-Backbone interact. energy: -0.291
local terms energy: -289.604357
where:
bonds (distance) C4'-P energy: -54.790
bonds (distance) P-C4' energy: -49.417
flat angles C4'-P-C4' energy: -56.848
flat angles P-C4'-P energy: -44.030
tors. eta vs tors. theta energy: -84.519
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: 2, replica: 3
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -874.577565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.577565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.577565 (E_RNA)
where:
Base-Base interactions energy: -595.259
where: short stacking energy: -258.001
Base-Backbone interact. energy: 0.975
local terms energy: -280.293259
where:
bonds (distance) C4'-P energy: -48.989
bonds (distance) P-C4' energy: -56.281
flat angles C4'-P-C4' energy: -54.027
flat angles P-C4'-P energy: -43.020
tors. eta vs tors. theta energy: -77.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -830.234142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.234142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.234142 (E_RNA)
where:
Base-Base interactions energy: -567.945
where: short stacking energy: -256.270
Base-Backbone interact. energy: -1.777
local terms energy: -260.512257
where:
bonds (distance) C4'-P energy: -50.222
bonds (distance) P-C4' energy: -48.736
flat angles C4'-P-C4' energy: -65.030
flat angles P-C4'-P energy: -34.298
tors. eta vs tors. theta energy: -62.226
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: 438
Temperature: 1.050000
Total energy: -726.520459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.520459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.520459 (E_RNA)
where:
Base-Base interactions energy: -497.498
where: short stacking energy: -219.393
Base-Backbone interact. energy: 0.453
local terms energy: -229.475715
where:
bonds (distance) C4'-P energy: -42.449
bonds (distance) P-C4' energy: -48.924
flat angles C4'-P-C4' energy: -49.364
flat angles P-C4'-P energy: -38.338
tors. eta vs tors. theta energy: -50.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -724.278984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.278984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.278984 (E_RNA)
where:
Base-Base interactions energy: -492.018
where: short stacking energy: -213.478
Base-Backbone interact. energy: -0.756
local terms energy: -231.504744
where:
bonds (distance) C4'-P energy: -50.533
bonds (distance) P-C4' energy: -45.888
flat angles C4'-P-C4' energy: -55.283
flat angles P-C4'-P energy: -23.083
tors. eta vs tors. theta energy: -56.718
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: 6, replica: 7
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -669.494477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.494477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.494477 (E_RNA)
where:
Base-Base interactions energy: -442.976
where: short stacking energy: -201.312
Base-Backbone interact. energy: -0.959
local terms energy: -225.559576
where:
bonds (distance) C4'-P energy: -42.379
bonds (distance) P-C4' energy: -44.930
flat angles C4'-P-C4' energy: -52.366
flat angles P-C4'-P energy: -35.457
tors. eta vs tors. theta energy: -50.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -632.628253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.628253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.628253 (E_RNA)
where:
Base-Base interactions energy: -426.673
where: short stacking energy: -184.428
Base-Backbone interact. energy: -0.920
local terms energy: -205.035057
where:
bonds (distance) C4'-P energy: -42.886
bonds (distance) P-C4' energy: -51.823
flat angles C4'-P-C4' energy: -41.106
flat angles P-C4'-P energy: -32.013
tors. eta vs tors. theta energy: -37.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -643.225117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.225117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.225117 (E_RNA)
where:
Base-Base interactions energy: -432.805
where: short stacking energy: -182.602
Base-Backbone interact. energy: 0.346
local terms energy: -210.766561
where:
bonds (distance) C4'-P energy: -42.716
bonds (distance) P-C4' energy: -51.518
flat angles C4'-P-C4' energy: -39.496
flat angles P-C4'-P energy: -36.484
tors. eta vs tors. theta energy: -40.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -336.349912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.349912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.349912 (E_RNA)
where:
Base-Base interactions energy: -169.895
where: short stacking energy: -109.719
Base-Backbone interact. energy: 0.742
local terms energy: -167.196624
where:
bonds (distance) C4'-P energy: -39.588
bonds (distance) P-C4' energy: -50.956
flat angles C4'-P-C4' energy: -43.865
flat angles P-C4'-P energy: -12.412
tors. eta vs tors. theta energy: -20.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -225.108612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.108612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.108612 (E_RNA)
where:
Base-Base interactions energy: -73.965
where: short stacking energy: -59.722
Base-Backbone interact. energy: -0.012
local terms energy: -151.131530
where:
bonds (distance) C4'-P energy: -46.486
bonds (distance) P-C4' energy: -40.829
flat angles C4'-P-C4' energy: -30.591
flat angles P-C4'-P energy: -29.778
tors. eta vs tors. theta energy: -3.448
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: 439
Temperature: 0.900000
Total energy: -891.732812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.732812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.732812 (E_RNA)
where:
Base-Base interactions energy: -598.894
where: short stacking energy: -270.560
Base-Backbone interact. energy: -0.268
local terms energy: -292.571094
where:
bonds (distance) C4'-P energy: -56.874
bonds (distance) P-C4' energy: -55.725
flat angles C4'-P-C4' energy: -59.197
flat angles P-C4'-P energy: -36.914
tors. eta vs tors. theta energy: -83.861
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: 3
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -877.151992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.151992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.151992 (E_RNA)
where:
Base-Base interactions energy: -599.837
where: short stacking energy: -261.322
Base-Backbone interact. energy: -3.261
local terms energy: -274.053898
where:
bonds (distance) C4'-P energy: -45.618
bonds (distance) P-C4' energy: -49.435
flat angles C4'-P-C4' energy: -58.856
flat angles P-C4'-P energy: -47.379
tors. eta vs tors. theta energy: -72.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -823.830846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.830846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.830846 (E_RNA)
where:
Base-Base interactions energy: -560.528
where: short stacking energy: -233.912
Base-Backbone interact. energy: 0.589
local terms energy: -263.891451
where:
bonds (distance) C4'-P energy: -54.734
bonds (distance) P-C4' energy: -48.622
flat angles C4'-P-C4' energy: -54.344
flat angles P-C4'-P energy: -44.241
tors. eta vs tors. theta energy: -61.950
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: 4, replica: 4
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -738.240082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.240082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.240082 (E_RNA)
where:
Base-Base interactions energy: -512.792
where: short stacking energy: -228.284
Base-Backbone interact. energy: 2.467
local terms energy: -227.915690
where:
bonds (distance) C4'-P energy: -39.605
bonds (distance) P-C4' energy: -48.810
flat angles C4'-P-C4' energy: -50.356
flat angles P-C4'-P energy: -33.738
tors. eta vs tors. theta energy: -55.408
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: 5, replica: 1
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -715.763069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.763069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.763069 (E_RNA)
where:
Base-Base interactions energy: -469.744
where: short stacking energy: -209.250
Base-Backbone interact. energy: 0.007
local terms energy: -246.025553
where:
bonds (distance) C4'-P energy: -49.411
bonds (distance) P-C4' energy: -53.421
flat angles C4'-P-C4' energy: -50.678
flat angles P-C4'-P energy: -39.043
tors. eta vs tors. theta energy: -53.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -648.996559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.996559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.996559 (E_RNA)
where:
Base-Base interactions energy: -429.128
where: short stacking energy: -184.756
Base-Backbone interact. energy: -1.328
local terms energy: -218.541048
where:
bonds (distance) C4'-P energy: -43.898
bonds (distance) P-C4' energy: -54.025
flat angles C4'-P-C4' energy: -45.926
flat angles P-C4'-P energy: -31.883
tors. eta vs tors. theta energy: -42.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -607.634456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.634456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.634456 (E_RNA)
where:
Base-Base interactions energy: -383.762
where: short stacking energy: -168.923
Base-Backbone interact. energy: -1.159
local terms energy: -222.713491
where:
bonds (distance) C4'-P energy: -41.279
bonds (distance) P-C4' energy: -56.031
flat angles C4'-P-C4' energy: -49.969
flat angles P-C4'-P energy: -35.969
tors. eta vs tors. theta energy: -39.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -634.491488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.491488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.491488 (E_RNA)
where:
Base-Base interactions energy: -435.300
where: short stacking energy: -196.657
Base-Backbone interact. energy: 0.654
local terms energy: -199.845743
where:
bonds (distance) C4'-P energy: -37.052
bonds (distance) P-C4' energy: -40.922
flat angles C4'-P-C4' energy: -48.996
flat angles P-C4'-P energy: -22.330
tors. eta vs tors. theta energy: -50.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -366.942239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.942239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.942239 (E_RNA)
where:
Base-Base interactions energy: -220.809
where: short stacking energy: -119.688
Base-Backbone interact. energy: 0.568
local terms energy: -146.700477
where:
bonds (distance) C4'-P energy: -39.287
bonds (distance) P-C4' energy: -42.291
flat angles C4'-P-C4' energy: -33.314
flat angles P-C4'-P energy: -17.984
tors. eta vs tors. theta energy: -13.824
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: 10
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -235.844489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.844489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.844489 (E_RNA)
where:
Base-Base interactions energy: -90.715
where: short stacking energy: -73.517
Base-Backbone interact. energy: -0.000
local terms energy: -145.129590
where:
bonds (distance) C4'-P energy: -47.770
bonds (distance) P-C4' energy: -42.245
flat angles C4'-P-C4' energy: -38.851
flat angles P-C4'-P energy: -22.502
tors. eta vs tors. theta energy: 6.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -889.943584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.943584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.943584 (E_RNA)
where:
Base-Base interactions energy: -619.251
where: short stacking energy: -276.657
Base-Backbone interact. energy: 0.602
local terms energy: -271.294877
where:
bonds (distance) C4'-P energy: -44.530
bonds (distance) P-C4' energy: -48.036
flat angles C4'-P-C4' energy: -62.813
flat angles P-C4'-P energy: -37.517
tors. eta vs tors. theta energy: -78.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -884.137280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.137280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.137280 (E_RNA)
where:
Base-Base interactions energy: -613.231
where: short stacking energy: -270.538
Base-Backbone interact. energy: -0.788
local terms energy: -270.118695
where:
bonds (distance) C4'-P energy: -39.256
bonds (distance) P-C4' energy: -56.281
flat angles C4'-P-C4' energy: -60.298
flat angles P-C4'-P energy: -39.002
tors. eta vs tors. theta energy: -75.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -835.242383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.242383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.242383 (E_RNA)
where:
Base-Base interactions energy: -565.067
where: short stacking energy: -255.284
Base-Backbone interact. energy: -1.329
local terms energy: -268.846250
where:
bonds (distance) C4'-P energy: -45.893
bonds (distance) P-C4' energy: -56.079
flat angles C4'-P-C4' energy: -56.981
flat angles P-C4'-P energy: -35.934
tors. eta vs tors. theta energy: -73.959
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: 4
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -732.445045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.445045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.445045 (E_RNA)
where:
Base-Base interactions energy: -483.360
where: short stacking energy: -217.689
Base-Backbone interact. energy: -0.633
local terms energy: -248.451938
where:
bonds (distance) C4'-P energy: -60.413
bonds (distance) P-C4' energy: -46.312
flat angles C4'-P-C4' energy: -55.959
flat angles P-C4'-P energy: -30.293
tors. eta vs tors. theta energy: -55.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -717.635786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.635786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.635786 (E_RNA)
where:
Base-Base interactions energy: -472.440
where: short stacking energy: -214.907
Base-Backbone interact. energy: -0.273
local terms energy: -244.923031
where:
bonds (distance) C4'-P energy: -48.938
bonds (distance) P-C4' energy: -54.850
flat angles C4'-P-C4' energy: -48.865
flat angles P-C4'-P energy: -35.552
tors. eta vs tors. theta energy: -56.718
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: 6, replica: 7
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -652.346940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.346940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.346940 (E_RNA)
where:
Base-Base interactions energy: -419.523
where: short stacking energy: -188.290
Base-Backbone interact. energy: -0.905
local terms energy: -231.919227
where:
bonds (distance) C4'-P energy: -51.928
bonds (distance) P-C4' energy: -49.437
flat angles C4'-P-C4' energy: -48.237
flat angles P-C4'-P energy: -42.706
tors. eta vs tors. theta energy: -39.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -631.544659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.544659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.544659 (E_RNA)
where:
Base-Base interactions energy: -410.028
where: short stacking energy: -192.448
Base-Backbone interact. energy: -0.912
local terms energy: -220.604292
where:
bonds (distance) C4'-P energy: -41.050
bonds (distance) P-C4' energy: -52.431
flat angles C4'-P-C4' energy: -52.042
flat angles P-C4'-P energy: -29.478
tors. eta vs tors. theta energy: -45.603
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: 8, replica: 6
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -603.046185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.046185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.046185 (E_RNA)
where:
Base-Base interactions energy: -399.785
where: short stacking energy: -170.730
Base-Backbone interact. energy: -0.757
local terms energy: -202.504735
where:
bonds (distance) C4'-P energy: -43.766
bonds (distance) P-C4' energy: -51.413
flat angles C4'-P-C4' energy: -45.039
flat angles P-C4'-P energy: -20.942
tors. eta vs tors. theta energy: -41.345
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: 9
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -361.149180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.149180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.149180 (E_RNA)
where:
Base-Base interactions energy: -206.539
where: short stacking energy: -113.485
Base-Backbone interact. energy: 0.901
local terms energy: -155.511350
where:
bonds (distance) C4'-P energy: -38.686
bonds (distance) P-C4' energy: -30.131
flat angles C4'-P-C4' energy: -49.136
flat angles P-C4'-P energy: -21.875
tors. eta vs tors. theta energy: -15.683
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: 10
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -234.657019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.657019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.657019 (E_RNA)
where:
Base-Base interactions energy: -100.720
where: short stacking energy: -61.587
Base-Backbone interact. energy: 1.707
local terms energy: -135.643798
where:
bonds (distance) C4'-P energy: -41.757
bonds (distance) P-C4' energy: -39.432
flat angles C4'-P-C4' energy: -34.141
flat angles P-C4'-P energy: -25.296
tors. eta vs tors. theta energy: 4.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -912.967107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.967107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.967107 (E_RNA)
where:
Base-Base interactions energy: -623.759
where: short stacking energy: -281.619
Base-Backbone interact. energy: -1.735
local terms energy: -287.473363
where:
bonds (distance) C4'-P energy: -44.838
bonds (distance) P-C4' energy: -56.093
flat angles C4'-P-C4' energy: -63.825
flat angles P-C4'-P energy: -42.561
tors. eta vs tors. theta energy: -80.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -840.935624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.935624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.935624 (E_RNA)
where:
Base-Base interactions energy: -572.374
where: short stacking energy: -245.299
Base-Backbone interact. energy: -1.705
local terms energy: -266.856925
where:
bonds (distance) C4'-P energy: -54.343
bonds (distance) P-C4' energy: -53.904
flat angles C4'-P-C4' energy: -52.454
flat angles P-C4'-P energy: -36.381
tors. eta vs tors. theta energy: -69.775
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: 3
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -871.566137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.566137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.566137 (E_RNA)
where:
Base-Base interactions energy: -605.452
where: short stacking energy: -248.002
Base-Backbone interact. energy: -0.338
local terms energy: -265.775991
where:
bonds (distance) C4'-P energy: -46.290
bonds (distance) P-C4' energy: -52.161
flat angles C4'-P-C4' energy: -61.332
flat angles P-C4'-P energy: -33.376
tors. eta vs tors. theta energy: -72.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -735.355332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.355332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.355332 (E_RNA)
where:
Base-Base interactions energy: -479.856
where: short stacking energy: -227.561
Base-Backbone interact. energy: -0.187
local terms energy: -255.311514
where:
bonds (distance) C4'-P energy: -55.153
bonds (distance) P-C4' energy: -52.851
flat angles C4'-P-C4' energy: -54.097
flat angles P-C4'-P energy: -28.975
tors. eta vs tors. theta energy: -64.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -737.238386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.238386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.238386 (E_RNA)
where:
Base-Base interactions energy: -493.832
where: short stacking energy: -220.132
Base-Backbone interact. energy: -0.245
local terms energy: -243.160886
where:
bonds (distance) C4'-P energy: -43.090
bonds (distance) P-C4' energy: -45.995
flat angles C4'-P-C4' energy: -56.914
flat angles P-C4'-P energy: -34.113
tors. eta vs tors. theta energy: -63.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -629.649086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.649086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.649086 (E_RNA)
where:
Base-Base interactions energy: -415.486
where: short stacking energy: -186.667
Base-Backbone interact. energy: 0.125
local terms energy: -214.287495
where:
bonds (distance) C4'-P energy: -49.772
bonds (distance) P-C4' energy: -35.785
flat angles C4'-P-C4' energy: -50.566
flat angles P-C4'-P energy: -35.904
tors. eta vs tors. theta energy: -42.261
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: 8
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -601.799538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.799538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.799538 (E_RNA)
where:
Base-Base interactions energy: -388.005
where: short stacking energy: -185.594
Base-Backbone interact. energy: 1.814
local terms energy: -215.608673
where:
bonds (distance) C4'-P energy: -45.308
bonds (distance) P-C4' energy: -46.857
flat angles C4'-P-C4' energy: -48.985
flat angles P-C4'-P energy: -30.486
tors. eta vs tors. theta energy: -43.973
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: 6
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -612.011042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.011042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.011042 (E_RNA)
where:
Base-Base interactions energy: -420.083
where: short stacking energy: -180.387
Base-Backbone interact. energy: 0.329
local terms energy: -192.256815
where:
bonds (distance) C4'-P energy: -39.706
bonds (distance) P-C4' energy: -51.119
flat angles C4'-P-C4' energy: -40.197
flat angles P-C4'-P energy: -22.187
tors. eta vs tors. theta energy: -39.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -366.164213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.164213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.164213 (E_RNA)
where:
Base-Base interactions energy: -222.639
where: short stacking energy: -103.802
Base-Backbone interact. energy: 5.372
local terms energy: -148.897170
where:
bonds (distance) C4'-P energy: -36.648
bonds (distance) P-C4' energy: -39.602
flat angles C4'-P-C4' energy: -35.265
flat angles P-C4'-P energy: -27.106
tors. eta vs tors. theta energy: -10.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -215.755698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.755698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.755698 (E_RNA)
where:
Base-Base interactions energy: -76.622
where: short stacking energy: -64.431
Base-Backbone interact. energy: 0.804
local terms energy: -139.937550
where:
bonds (distance) C4'-P energy: -40.712
bonds (distance) P-C4' energy: -48.649
flat angles C4'-P-C4' energy: -34.148
flat angles P-C4'-P energy: -26.525
tors. eta vs tors. theta energy: 10.097
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: 1, replica: 2
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -904.293757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.293757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.293757 (E_RNA)
where:
Base-Base interactions energy: -613.127
where: short stacking energy: -270.803
Base-Backbone interact. energy: 0.019
local terms energy: -291.186157
where:
bonds (distance) C4'-P energy: -53.062
bonds (distance) P-C4' energy: -53.989
flat angles C4'-P-C4' energy: -63.128
flat angles P-C4'-P energy: -42.404
tors. eta vs tors. theta energy: -78.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -844.252146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.252146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.252146 (E_RNA)
where:
Base-Base interactions energy: -566.952
where: short stacking energy: -257.613
Base-Backbone interact. energy: -1.848
local terms energy: -275.451973
where:
bonds (distance) C4'-P energy: -53.572
bonds (distance) P-C4' energy: -58.712
flat angles C4'-P-C4' energy: -56.250
flat angles P-C4'-P energy: -38.747
tors. eta vs tors. theta energy: -68.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -872.477394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.477394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.477394 (E_RNA)
where:
Base-Base interactions energy: -606.998
where: short stacking energy: -261.877
Base-Backbone interact. energy: -0.386
local terms energy: -265.092627
where:
bonds (distance) C4'-P energy: -40.684
bonds (distance) P-C4' energy: -48.996
flat angles C4'-P-C4' energy: -57.648
flat angles P-C4'-P energy: -47.919
tors. eta vs tors. theta energy: -69.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -759.663823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.663823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.663823 (E_RNA)
where:
Base-Base interactions energy: -513.119
where: short stacking energy: -249.409
Base-Backbone interact. energy: 2.148
local terms energy: -248.692780
where:
bonds (distance) C4'-P energy: -49.891
bonds (distance) P-C4' energy: -44.985
flat angles C4'-P-C4' energy: -49.853
flat angles P-C4'-P energy: -40.225
tors. eta vs tors. theta energy: -63.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -695.410539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.410539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.410539 (E_RNA)
where:
Base-Base interactions energy: -461.695
where: short stacking energy: -216.021
Base-Backbone interact. energy: -0.890
local terms energy: -232.825355
where:
bonds (distance) C4'-P energy: -44.956
bonds (distance) P-C4' energy: -41.288
flat angles C4'-P-C4' energy: -57.268
flat angles P-C4'-P energy: -36.214
tors. eta vs tors. theta energy: -53.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -671.949204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.949204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.949204 (E_RNA)
where:
Base-Base interactions energy: -455.629
where: short stacking energy: -197.442
Base-Backbone interact. energy: -0.854
local terms energy: -215.466341
where:
bonds (distance) C4'-P energy: -44.126
bonds (distance) P-C4' energy: -45.701
flat angles C4'-P-C4' energy: -49.026
flat angles P-C4'-P energy: -36.464
tors. eta vs tors. theta energy: -40.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -607.727569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.727569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.727569 (E_RNA)
where:
Base-Base interactions energy: -412.412
where: short stacking energy: -176.869
Base-Backbone interact. energy: -0.707
local terms energy: -194.608535
where:
bonds (distance) C4'-P energy: -47.893
bonds (distance) P-C4' energy: -48.296
flat angles C4'-P-C4' energy: -43.789
flat angles P-C4'-P energy: -26.988
tors. eta vs tors. theta energy: -27.642
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: 8, replica: 8
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -608.212492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.212492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.212492 (E_RNA)
where:
Base-Base interactions energy: -395.541
where: short stacking energy: -189.883
Base-Backbone interact. energy: -1.008
local terms energy: -211.663722
where:
bonds (distance) C4'-P energy: -45.900
bonds (distance) P-C4' energy: -47.111
flat angles C4'-P-C4' energy: -49.396
flat angles P-C4'-P energy: -32.297
tors. eta vs tors. theta energy: -36.959
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: 9
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -379.231645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.231645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.231645 (E_RNA)
where:
Base-Base interactions energy: -201.642
where: short stacking energy: -114.521
Base-Backbone interact. energy: -0.712
local terms energy: -176.877728
where:
bonds (distance) C4'-P energy: -42.945
bonds (distance) P-C4' energy: -45.491
flat angles C4'-P-C4' energy: -43.400
flat angles P-C4'-P energy: -30.871
tors. eta vs tors. theta energy: -14.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -219.523249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.523249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.523249 (E_RNA)
where:
Base-Base interactions energy: -81.229
where: short stacking energy: -69.085
Base-Backbone interact. energy: 0.017
local terms energy: -138.311628
where:
bonds (distance) C4'-P energy: -46.994
bonds (distance) P-C4' energy: -38.107
flat angles C4'-P-C4' energy: -39.727
flat angles P-C4'-P energy: -22.510
tors. eta vs tors. theta energy: 9.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -895.061577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.061577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.061577 (E_RNA)
where:
Base-Base interactions energy: -603.711
where: short stacking energy: -277.558
Base-Backbone interact. energy: -1.149
local terms energy: -290.200941
where:
bonds (distance) C4'-P energy: -52.315
bonds (distance) P-C4' energy: -57.023
flat angles C4'-P-C4' energy: -60.607
flat angles P-C4'-P energy: -41.257
tors. eta vs tors. theta energy: -78.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -853.777021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.777021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.777021 (E_RNA)
where:
Base-Base interactions energy: -580.426
where: short stacking energy: -259.576
Base-Backbone interact. energy: -1.005
local terms energy: -272.345600
where:
bonds (distance) C4'-P energy: -52.022
bonds (distance) P-C4' energy: -52.039
flat angles C4'-P-C4' energy: -56.910
flat angles P-C4'-P energy: -43.923
tors. eta vs tors. theta energy: -67.451
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: 5
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -809.721894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.721894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.721894 (E_RNA)
where:
Base-Base interactions energy: -550.827
where: short stacking energy: -234.110
Base-Backbone interact. energy: -1.935
local terms energy: -256.960447
where:
bonds (distance) C4'-P energy: -49.127
bonds (distance) P-C4' energy: -53.510
flat angles C4'-P-C4' energy: -57.710
flat angles P-C4'-P energy: -33.326
tors. eta vs tors. theta energy: -63.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -721.322367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.322367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.322367 (E_RNA)
where:
Base-Base interactions energy: -474.693
where: short stacking energy: -194.547
Base-Backbone interact. energy: -1.878
local terms energy: -244.750491
where:
bonds (distance) C4'-P energy: -58.724
bonds (distance) P-C4' energy: -51.251
flat angles C4'-P-C4' energy: -52.220
flat angles P-C4'-P energy: -29.703
tors. eta vs tors. theta energy: -52.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -664.366823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.366823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.366823 (E_RNA)
where:
Base-Base interactions energy: -435.636
where: short stacking energy: -198.642
Base-Backbone interact. energy: -0.951
local terms energy: -227.779702
where:
bonds (distance) C4'-P energy: -47.809
bonds (distance) P-C4' energy: -50.008
flat angles C4'-P-C4' energy: -49.785
flat angles P-C4'-P energy: -32.964
tors. eta vs tors. theta energy: -47.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -708.645322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.645322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.645322 (E_RNA)
where:
Base-Base interactions energy: -482.015
where: short stacking energy: -209.032
Base-Backbone interact. energy: -0.774
local terms energy: -225.855829
where:
bonds (distance) C4'-P energy: -46.489
bonds (distance) P-C4' energy: -50.453
flat angles C4'-P-C4' energy: -52.155
flat angles P-C4'-P energy: -36.052
tors. eta vs tors. theta energy: -40.707
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: 6
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -563.693258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.693258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.693258 (E_RNA)
where:
Base-Base interactions energy: -347.826
where: short stacking energy: -154.662
Base-Backbone interact. energy: 0.895
local terms energy: -216.762191
where:
bonds (distance) C4'-P energy: -40.388
bonds (distance) P-C4' energy: -46.323
flat angles C4'-P-C4' energy: -58.174
flat angles P-C4'-P energy: -38.676
tors. eta vs tors. theta energy: -33.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -560.360045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.360045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.360045 (E_RNA)
where:
Base-Base interactions energy: -370.462
where: short stacking energy: -154.504
Base-Backbone interact. energy: 2.195
local terms energy: -192.093269
where:
bonds (distance) C4'-P energy: -49.133
bonds (distance) P-C4' energy: -43.811
flat angles C4'-P-C4' energy: -41.923
flat angles P-C4'-P energy: -29.822
tors. eta vs tors. theta energy: -27.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -364.947231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.947231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.947231 (E_RNA)
where:
Base-Base interactions energy: -209.604
where: short stacking energy: -113.450
Base-Backbone interact. energy: -1.699
local terms energy: -153.644665
where:
bonds (distance) C4'-P energy: -32.305
bonds (distance) P-C4' energy: -44.395
flat angles C4'-P-C4' energy: -44.531
flat angles P-C4'-P energy: -30.168
tors. eta vs tors. theta energy: -2.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -225.379960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.379960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.379960 (E_RNA)
where:
Base-Base interactions energy: -75.220
where: short stacking energy: -67.391
Base-Backbone interact. energy: -0.733
local terms energy: -149.426489
where:
bonds (distance) C4'-P energy: -40.791
bonds (distance) P-C4' energy: -43.260
flat angles C4'-P-C4' energy: -37.475
flat angles P-C4'-P energy: -35.188
tors. eta vs tors. theta energy: 7.287
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: 1, replica: 2
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -894.270355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.270355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.270355 (E_RNA)
where:
Base-Base interactions energy: -614.235
where: short stacking energy: -269.351
Base-Backbone interact. energy: -0.539
local terms energy: -279.496589
where:
bonds (distance) C4'-P energy: -49.462
bonds (distance) P-C4' energy: -55.263
flat angles C4'-P-C4' energy: -57.150
flat angles P-C4'-P energy: -40.987
tors. eta vs tors. theta energy: -76.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -868.202486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.202486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.202486 (E_RNA)
where:
Base-Base interactions energy: -603.104
where: short stacking energy: -263.202
Base-Backbone interact. energy: -1.170
local terms energy: -263.928350
where:
bonds (distance) C4'-P energy: -49.675
bonds (distance) P-C4' energy: -46.494
flat angles C4'-P-C4' energy: -60.007
flat angles P-C4'-P energy: -41.290
tors. eta vs tors. theta energy: -66.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -842.984124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.984124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.984124 (E_RNA)
where:
Base-Base interactions energy: -580.238
where: short stacking energy: -273.777
Base-Backbone interact. energy: -0.420
local terms energy: -262.326838
where:
bonds (distance) C4'-P energy: -44.212
bonds (distance) P-C4' energy: -52.238
flat angles C4'-P-C4' energy: -52.922
flat angles P-C4'-P energy: -44.679
tors. eta vs tors. theta energy: -68.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -755.117773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.117773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.117773 (E_RNA)
where:
Base-Base interactions energy: -502.001
where: short stacking energy: -224.149
Base-Backbone interact. energy: 1.265
local terms energy: -254.381162
where:
bonds (distance) C4'-P energy: -45.623
bonds (distance) P-C4' energy: -52.343
flat angles C4'-P-C4' energy: -52.153
flat angles P-C4'-P energy: -40.264
tors. eta vs tors. theta energy: -63.998
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: 5, replica: 7
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -725.895216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.895216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.895216 (E_RNA)
where:
Base-Base interactions energy: -467.284
where: short stacking energy: -204.125
Base-Backbone interact. energy: -0.802
local terms energy: -257.808852
where:
bonds (distance) C4'-P energy: -48.393
bonds (distance) P-C4' energy: -53.099
flat angles C4'-P-C4' energy: -57.544
flat angles P-C4'-P energy: -36.828
tors. eta vs tors. theta energy: -61.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -652.782950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.782950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.782950 (E_RNA)
where:
Base-Base interactions energy: -424.018
where: short stacking energy: -187.829
Base-Backbone interact. energy: 0.678
local terms energy: -229.442796
where:
bonds (distance) C4'-P energy: -43.975
bonds (distance) P-C4' energy: -56.821
flat angles C4'-P-C4' energy: -47.042
flat angles P-C4'-P energy: -37.506
tors. eta vs tors. theta energy: -44.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -573.445764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.445764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.445764 (E_RNA)
where:
Base-Base interactions energy: -358.428
where: short stacking energy: -160.780
Base-Backbone interact. energy: 0.206
local terms energy: -215.223754
where:
bonds (distance) C4'-P energy: -45.091
bonds (distance) P-C4' energy: -51.655
flat angles C4'-P-C4' energy: -49.018
flat angles P-C4'-P energy: -39.892
tors. eta vs tors. theta energy: -29.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -578.010738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.010738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.010738 (E_RNA)
where:
Base-Base interactions energy: -376.593
where: short stacking energy: -165.104
Base-Backbone interact. energy: 1.537
local terms energy: -202.954828
where:
bonds (distance) C4'-P energy: -41.244
bonds (distance) P-C4' energy: -51.664
flat angles C4'-P-C4' energy: -49.487
flat angles P-C4'-P energy: -23.727
tors. eta vs tors. theta energy: -36.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -373.651522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.651522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.651522 (E_RNA)
where:
Base-Base interactions energy: -219.936
where: short stacking energy: -113.415
Base-Backbone interact. energy: -1.086
local terms energy: -152.629758
where:
bonds (distance) C4'-P energy: -43.106
bonds (distance) P-C4' energy: -35.640
flat angles C4'-P-C4' energy: -41.620
flat angles P-C4'-P energy: -22.595
tors. eta vs tors. theta energy: -9.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -212.182524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.182524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.182524 (E_RNA)
where:
Base-Base interactions energy: -64.186
where: short stacking energy: -56.862
Base-Backbone interact. energy: 0.704
local terms energy: -148.700442
where:
bonds (distance) C4'-P energy: -43.816
bonds (distance) P-C4' energy: -53.635
flat angles C4'-P-C4' energy: -34.186
flat angles P-C4'-P energy: -20.186
tors. eta vs tors. theta energy: 3.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -915.243799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.243799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.243799 (E_RNA)
where:
Base-Base interactions energy: -628.144
where: short stacking energy: -266.857
Base-Backbone interact. energy: -2.067
local terms energy: -285.033187
where:
bonds (distance) C4'-P energy: -56.107
bonds (distance) P-C4' energy: -57.508
flat angles C4'-P-C4' energy: -58.831
flat angles P-C4'-P energy: -40.423
tors. eta vs tors. theta energy: -72.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -876.742201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.742201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.742201 (E_RNA)
where:
Base-Base interactions energy: -584.652
where: short stacking energy: -252.879
Base-Backbone interact. energy: -1.924
local terms energy: -290.165686
where:
bonds (distance) C4'-P energy: -55.432
bonds (distance) P-C4' energy: -55.033
flat angles C4'-P-C4' energy: -62.885
flat angles P-C4'-P energy: -45.963
tors. eta vs tors. theta energy: -70.852
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: 5
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -853.911493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.911493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.911493 (E_RNA)
where:
Base-Base interactions energy: -589.511
where: short stacking energy: -261.954
Base-Backbone interact. energy: 6.820
local terms energy: -271.221127
where:
bonds (distance) C4'-P energy: -54.695
bonds (distance) P-C4' energy: -50.912
flat angles C4'-P-C4' energy: -54.876
flat angles P-C4'-P energy: -37.739
tors. eta vs tors. theta energy: -72.999
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: 4, replica: 4
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -745.116165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.116165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.116165 (E_RNA)
where:
Base-Base interactions energy: -497.182
where: short stacking energy: -222.930
Base-Backbone interact. energy: 0.059
local terms energy: -247.993002
where:
bonds (distance) C4'-P energy: -47.342
bonds (distance) P-C4' energy: -46.354
flat angles C4'-P-C4' energy: -60.325
flat angles P-C4'-P energy: -35.047
tors. eta vs tors. theta energy: -58.925
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: 7
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -732.581954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.581954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.581954 (E_RNA)
where:
Base-Base interactions energy: -484.542
where: short stacking energy: -198.199
Base-Backbone interact. energy: -0.236
local terms energy: -247.804212
where:
bonds (distance) C4'-P energy: -59.633
bonds (distance) P-C4' energy: -44.797
flat angles C4'-P-C4' energy: -54.767
flat angles P-C4'-P energy: -32.044
tors. eta vs tors. theta energy: -56.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -620.225181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.225181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.225181 (E_RNA)
where:
Base-Base interactions energy: -395.835
where: short stacking energy: -182.106
Base-Backbone interact. energy: 2.500
local terms energy: -226.889995
where:
bonds (distance) C4'-P energy: -40.729
bonds (distance) P-C4' energy: -49.324
flat angles C4'-P-C4' energy: -53.800
flat angles P-C4'-P energy: -29.863
tors. eta vs tors. theta energy: -53.175
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: 1
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -615.700248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.700248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.700248 (E_RNA)
where:
Base-Base interactions energy: -403.782
where: short stacking energy: -178.370
Base-Backbone interact. energy: -1.025
local terms energy: -210.893209
where:
bonds (distance) C4'-P energy: -38.659
bonds (distance) P-C4' energy: -46.474
flat angles C4'-P-C4' energy: -51.502
flat angles P-C4'-P energy: -24.350
tors. eta vs tors. theta energy: -49.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -597.709574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.709574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.709574 (E_RNA)
where:
Base-Base interactions energy: -404.525
where: short stacking energy: -195.336
Base-Backbone interact. energy: -0.898
local terms energy: -192.286933
where:
bonds (distance) C4'-P energy: -36.508
bonds (distance) P-C4' energy: -41.726
flat angles C4'-P-C4' energy: -46.183
flat angles P-C4'-P energy: -26.162
tors. eta vs tors. theta energy: -41.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -388.825350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.825350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.825350 (E_RNA)
where:
Base-Base interactions energy: -240.843
where: short stacking energy: -104.136
Base-Backbone interact. energy: -2.003
local terms energy: -145.979630
where:
bonds (distance) C4'-P energy: -33.395
bonds (distance) P-C4' energy: -42.579
flat angles C4'-P-C4' energy: -44.733
flat angles P-C4'-P energy: -18.875
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: 10, replica: 10
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -234.911330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.911330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.911330 (E_RNA)
where:
Base-Base interactions energy: -97.109
where: short stacking energy: -76.514
Base-Backbone interact. energy: -0.662
local terms energy: -137.139910
where:
bonds (distance) C4'-P energy: -40.092
bonds (distance) P-C4' energy: -41.606
flat angles C4'-P-C4' energy: -34.189
flat angles P-C4'-P energy: -22.116
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: 446
Temperature: 0.900000
Total energy: -917.690336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.690336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.690336 (E_RNA)
where:
Base-Base interactions energy: -638.219
where: short stacking energy: -275.540
Base-Backbone interact. energy: -0.853
local terms energy: -278.618098
where:
bonds (distance) C4'-P energy: -55.932
bonds (distance) P-C4' energy: -49.800
flat angles C4'-P-C4' energy: -63.089
flat angles P-C4'-P energy: -36.318
tors. eta vs tors. theta energy: -73.479
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: 3
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -884.355979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.355979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.355979 (E_RNA)
where:
Base-Base interactions energy: -606.434
where: short stacking energy: -269.118
Base-Backbone interact. energy: 1.093
local terms energy: -279.015086
where:
bonds (distance) C4'-P energy: -47.980
bonds (distance) P-C4' energy: -55.748
flat angles C4'-P-C4' energy: -56.538
flat angles P-C4'-P energy: -42.703
tors. eta vs tors. theta energy: -76.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -860.151886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.151886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.151886 (E_RNA)
where:
Base-Base interactions energy: -579.838
where: short stacking energy: -253.438
Base-Backbone interact. energy: -1.392
local terms energy: -278.921950
where:
bonds (distance) C4'-P energy: -54.687
bonds (distance) P-C4' energy: -55.413
flat angles C4'-P-C4' energy: -55.187
flat angles P-C4'-P energy: -38.301
tors. eta vs tors. theta energy: -75.334
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: 4
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -722.605460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.605460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.605460 (E_RNA)
where:
Base-Base interactions energy: -480.232
where: short stacking energy: -220.209
Base-Backbone interact. energy: 1.422
local terms energy: -243.795786
where:
bonds (distance) C4'-P energy: -39.279
bonds (distance) P-C4' energy: -51.307
flat angles C4'-P-C4' energy: -50.314
flat angles P-C4'-P energy: -45.025
tors. eta vs tors. theta energy: -57.871
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: 5, replica: 7
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -728.093929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.093929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.093929 (E_RNA)
where:
Base-Base interactions energy: -487.487
where: short stacking energy: -211.741
Base-Backbone interact. energy: -3.254
local terms energy: -237.352438
where:
bonds (distance) C4'-P energy: -43.972
bonds (distance) P-C4' energy: -46.557
flat angles C4'-P-C4' energy: -50.676
flat angles P-C4'-P energy: -41.825
tors. eta vs tors. theta energy: -54.321
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: 6, replica: 8
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -629.292055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.292055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.292055 (E_RNA)
where:
Base-Base interactions energy: -400.868
where: short stacking energy: -185.691
Base-Backbone interact. energy: -1.616
local terms energy: -226.807840
where:
bonds (distance) C4'-P energy: -45.052
bonds (distance) P-C4' energy: -43.960
flat angles C4'-P-C4' energy: -51.166
flat angles P-C4'-P energy: -36.864
tors. eta vs tors. theta energy: -49.765
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: 7, replica: 6
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -625.836216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.836216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.836216 (E_RNA)
where:
Base-Base interactions energy: -412.024
where: short stacking energy: -207.169
Base-Backbone interact. energy: -0.340
local terms energy: -213.471464
where:
bonds (distance) C4'-P energy: -40.816
bonds (distance) P-C4' energy: -40.736
flat angles C4'-P-C4' energy: -43.614
flat angles P-C4'-P energy: -40.581
tors. eta vs tors. theta energy: -47.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -585.195184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.195184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.195184 (E_RNA)
where:
Base-Base interactions energy: -375.110
where: short stacking energy: -157.803
Base-Backbone interact. energy: -1.421
local terms energy: -208.664647
where:
bonds (distance) C4'-P energy: -47.571
bonds (distance) P-C4' energy: -39.801
flat angles C4'-P-C4' energy: -53.744
flat angles P-C4'-P energy: -32.249
tors. eta vs tors. theta energy: -35.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -387.516029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.516029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.516029 (E_RNA)
where:
Base-Base interactions energy: -208.642
where: short stacking energy: -100.560
Base-Backbone interact. energy: -1.214
local terms energy: -177.659584
where:
bonds (distance) C4'-P energy: -45.687
bonds (distance) P-C4' energy: -48.984
flat angles C4'-P-C4' energy: -35.372
flat angles P-C4'-P energy: -32.830
tors. eta vs tors. theta energy: -14.787
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: 10
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -229.578141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.578141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.578141 (E_RNA)
where:
Base-Base interactions energy: -80.698
where: short stacking energy: -54.108
Base-Backbone interact. energy: -0.667
local terms energy: -148.213526
where:
bonds (distance) C4'-P energy: -54.161
bonds (distance) P-C4' energy: -53.937
flat angles C4'-P-C4' energy: -38.021
flat angles P-C4'-P energy: -12.603
tors. eta vs tors. theta energy: 10.508
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: 2
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -912.366453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.366453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.366453 (E_RNA)
where:
Base-Base interactions energy: -629.174
where: short stacking energy: -267.820
Base-Backbone interact. energy: -1.616
local terms energy: -281.576350
where:
bonds (distance) C4'-P energy: -57.419
bonds (distance) P-C4' energy: -59.179
flat angles C4'-P-C4' energy: -57.596
flat angles P-C4'-P energy: -30.844
tors. eta vs tors. theta energy: -76.538
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: 2, replica: 3
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -877.831080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.831080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.831080 (E_RNA)
where:
Base-Base interactions energy: -595.209
where: short stacking energy: -253.457
Base-Backbone interact. energy: -0.497
local terms energy: -282.125227
where:
bonds (distance) C4'-P energy: -50.168
bonds (distance) P-C4' energy: -55.654
flat angles C4'-P-C4' energy: -57.574
flat angles P-C4'-P energy: -45.620
tors. eta vs tors. theta energy: -73.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -835.674021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.674021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.674021 (E_RNA)
where:
Base-Base interactions energy: -572.414
where: short stacking energy: -249.583
Base-Backbone interact. energy: 0.045
local terms energy: -263.304735
where:
bonds (distance) C4'-P energy: -47.273
bonds (distance) P-C4' energy: -55.791
flat angles C4'-P-C4' energy: -55.519
flat angles P-C4'-P energy: -35.013
tors. eta vs tors. theta energy: -69.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -711.443143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.443143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.443143 (E_RNA)
where:
Base-Base interactions energy: -474.273
where: short stacking energy: -214.455
Base-Backbone interact. energy: -1.907
local terms energy: -235.262969
where:
bonds (distance) C4'-P energy: -49.055
bonds (distance) P-C4' energy: -45.995
flat angles C4'-P-C4' energy: -52.970
flat angles P-C4'-P energy: -37.609
tors. eta vs tors. theta energy: -49.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -715.253271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.253271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.253271 (E_RNA)
where:
Base-Base interactions energy: -480.976
where: short stacking energy: -214.182
Base-Backbone interact. energy: -0.793
local terms energy: -233.484079
where:
bonds (distance) C4'-P energy: -40.428
bonds (distance) P-C4' energy: -59.043
flat angles C4'-P-C4' energy: -55.825
flat angles P-C4'-P energy: -21.033
tors. eta vs tors. theta energy: -57.155
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: 6
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -677.323257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.323257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.323257 (E_RNA)
where:
Base-Base interactions energy: -460.873
where: short stacking energy: -200.057
Base-Backbone interact. energy: -0.376
local terms energy: -216.074513
where:
bonds (distance) C4'-P energy: -44.694
bonds (distance) P-C4' energy: -27.784
flat angles C4'-P-C4' energy: -55.139
flat angles P-C4'-P energy: -40.704
tors. eta vs tors. theta energy: -47.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -564.272898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.272898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.272898 (E_RNA)
where:
Base-Base interactions energy: -349.541
where: short stacking energy: -153.629
Base-Backbone interact. energy: -0.825
local terms energy: -213.906907
where:
bonds (distance) C4'-P energy: -44.484
bonds (distance) P-C4' energy: -54.408
flat angles C4'-P-C4' energy: -45.526
flat angles P-C4'-P energy: -35.039
tors. eta vs tors. theta energy: -34.449
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: 1
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -562.977768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.977768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.977768 (E_RNA)
where:
Base-Base interactions energy: -357.456
where: short stacking energy: -161.080
Base-Backbone interact. energy: -2.328
local terms energy: -203.193807
where:
bonds (distance) C4'-P energy: -42.649
bonds (distance) P-C4' energy: -41.459
flat angles C4'-P-C4' energy: -48.144
flat angles P-C4'-P energy: -34.492
tors. eta vs tors. theta energy: -36.450
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: 9
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -349.427081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.427081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.427081 (E_RNA)
where:
Base-Base interactions energy: -202.977
where: short stacking energy: -104.948
Base-Backbone interact. energy: 0.227
local terms energy: -146.676691
where:
bonds (distance) C4'-P energy: -40.359
bonds (distance) P-C4' energy: -48.851
flat angles C4'-P-C4' energy: -39.781
flat angles P-C4'-P energy: -20.122
tors. eta vs tors. theta energy: 2.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -283.349195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.349195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.349195 (E_RNA)
where:
Base-Base interactions energy: -134.421
where: short stacking energy: -64.146
Base-Backbone interact. energy: -3.875
local terms energy: -145.052874
where:
bonds (distance) C4'-P energy: -37.694
bonds (distance) P-C4' energy: -52.495
flat angles C4'-P-C4' energy: -42.056
flat angles P-C4'-P energy: -22.753
tors. eta vs tors. theta energy: 9.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -891.747923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.747923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.747923 (E_RNA)
where:
Base-Base interactions energy: -601.261
where: short stacking energy: -259.067
Base-Backbone interact. energy: -1.456
local terms energy: -289.031315
where:
bonds (distance) C4'-P energy: -52.787
bonds (distance) P-C4' energy: -55.538
flat angles C4'-P-C4' energy: -63.898
flat angles P-C4'-P energy: -45.323
tors. eta vs tors. theta energy: -71.485
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: 448
Temperature: 0.950000
Total energy: -892.476678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.476678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.476678 (E_RNA)
where:
Base-Base interactions energy: -618.570
where: short stacking energy: -275.142
Base-Backbone interact. energy: -1.250
local terms energy: -272.657279
where:
bonds (distance) C4'-P energy: -47.499
bonds (distance) P-C4' energy: -52.253
flat angles C4'-P-C4' energy: -55.981
flat angles P-C4'-P energy: -42.325
tors. eta vs tors. theta energy: -74.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -853.291607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.291607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.291607 (E_RNA)
where:
Base-Base interactions energy: -588.770
where: short stacking energy: -246.062
Base-Backbone interact. energy: -0.906
local terms energy: -263.614808
where:
bonds (distance) C4'-P energy: -53.459
bonds (distance) P-C4' energy: -51.040
flat angles C4'-P-C4' energy: -52.759
flat angles P-C4'-P energy: -41.252
tors. eta vs tors. theta energy: -65.105
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: 4
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -731.132759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.132759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.132759 (E_RNA)
where:
Base-Base interactions energy: -480.939
where: short stacking energy: -214.927
Base-Backbone interact. energy: -0.685
local terms energy: -249.509229
where:
bonds (distance) C4'-P energy: -44.574
bonds (distance) P-C4' energy: -61.512
flat angles C4'-P-C4' energy: -47.672
flat angles P-C4'-P energy: -36.742
tors. eta vs tors. theta energy: -59.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -715.534814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.534814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.534814 (E_RNA)
where:
Base-Base interactions energy: -475.585
where: short stacking energy: -212.972
Base-Backbone interact. energy: 0.018
local terms energy: -239.967864
where:
bonds (distance) C4'-P energy: -46.974
bonds (distance) P-C4' energy: -48.420
flat angles C4'-P-C4' energy: -52.249
flat angles P-C4'-P energy: -30.007
tors. eta vs tors. theta energy: -62.318
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: 6, replica: 6
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -730.031341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.031341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.031341 (E_RNA)
where:
Base-Base interactions energy: -499.050
where: short stacking energy: -222.236
Base-Backbone interact. energy: 0.333
local terms energy: -231.314131
where:
bonds (distance) C4'-P energy: -41.355
bonds (distance) P-C4' energy: -44.020
flat angles C4'-P-C4' energy: -51.553
flat angles P-C4'-P energy: -28.430
tors. eta vs tors. theta energy: -65.956
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: 8
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -571.368511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.368511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.368511 (E_RNA)
where:
Base-Base interactions energy: -371.215
where: short stacking energy: -164.205
Base-Backbone interact. energy: -1.058
local terms energy: -199.095420
where:
bonds (distance) C4'-P energy: -47.582
bonds (distance) P-C4' energy: -47.365
flat angles C4'-P-C4' energy: -51.173
flat angles P-C4'-P energy: -28.706
tors. eta vs tors. theta energy: -24.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -584.270252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.270252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.270252 (E_RNA)
where:
Base-Base interactions energy: -391.037
where: short stacking energy: -155.338
Base-Backbone interact. energy: 0.138
local terms energy: -193.372023
where:
bonds (distance) C4'-P energy: -45.011
bonds (distance) P-C4' energy: -43.996
flat angles C4'-P-C4' energy: -47.617
flat angles P-C4'-P energy: -28.436
tors. eta vs tors. theta energy: -28.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -312.523279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.523279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.523279 (E_RNA)
where:
Base-Base interactions energy: -141.858
where: short stacking energy: -86.473
Base-Backbone interact. energy: -0.709
local terms energy: -169.956593
where:
bonds (distance) C4'-P energy: -42.026
bonds (distance) P-C4' energy: -46.360
flat angles C4'-P-C4' energy: -43.429
flat angles P-C4'-P energy: -30.094
tors. eta vs tors. theta energy: -8.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -334.208728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.208728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.208728 (E_RNA)
where:
Base-Base interactions energy: -181.081
where: short stacking energy: -85.624
Base-Backbone interact. energy: 0.257
local terms energy: -153.384622
where:
bonds (distance) C4'-P energy: -32.963
bonds (distance) P-C4' energy: -53.393
flat angles C4'-P-C4' energy: -33.042
flat angles P-C4'-P energy: -30.718
tors. eta vs tors. theta energy: -3.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -873.658125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.658125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.658125 (E_RNA)
where:
Base-Base interactions energy: -615.795
where: short stacking energy: -264.302
Base-Backbone interact. energy: -0.089
local terms energy: -257.774066
where:
bonds (distance) C4'-P energy: -43.124
bonds (distance) P-C4' energy: -54.208
flat angles C4'-P-C4' energy: -61.438
flat angles P-C4'-P energy: -33.446
tors. eta vs tors. theta energy: -65.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -890.314211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.314211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.314211 (E_RNA)
where:
Base-Base interactions energy: -599.396
where: short stacking energy: -275.924
Base-Backbone interact. energy: -0.488
local terms energy: -290.430032
where:
bonds (distance) C4'-P energy: -49.879
bonds (distance) P-C4' energy: -58.247
flat angles C4'-P-C4' energy: -63.226
flat angles P-C4'-P energy: -31.887
tors. eta vs tors. theta energy: -87.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -866.369816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.369816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.369816 (E_RNA)
where:
Base-Base interactions energy: -610.586
where: short stacking energy: -246.924
Base-Backbone interact. energy: -0.334
local terms energy: -255.449515
where:
bonds (distance) C4'-P energy: -44.270
bonds (distance) P-C4' energy: -44.320
flat angles C4'-P-C4' energy: -55.645
flat angles P-C4'-P energy: -43.598
tors. eta vs tors. theta energy: -67.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -749.549120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.549120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.549120 (E_RNA)
where:
Base-Base interactions energy: -501.207
where: short stacking energy: -226.219
Base-Backbone interact. energy: -0.916
local terms energy: -247.426566
where:
bonds (distance) C4'-P energy: -42.775
bonds (distance) P-C4' energy: -50.725
flat angles C4'-P-C4' energy: -48.916
flat angles P-C4'-P energy: -38.921
tors. eta vs tors. theta energy: -66.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -716.326092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.326092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.326092 (E_RNA)
where:
Base-Base interactions energy: -470.461
where: short stacking energy: -209.212
Base-Backbone interact. energy: -0.825
local terms energy: -245.039991
where:
bonds (distance) C4'-P energy: -54.957
bonds (distance) P-C4' energy: -48.308
flat angles C4'-P-C4' energy: -52.116
flat angles P-C4'-P energy: -33.001
tors. eta vs tors. theta energy: -56.658
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: 6
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -713.002881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.002881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.002881 (E_RNA)
where:
Base-Base interactions energy: -485.911
where: short stacking energy: -210.121
Base-Backbone interact. energy: -0.398
local terms energy: -226.693374
where:
bonds (distance) C4'-P energy: -49.557
bonds (distance) P-C4' energy: -46.356
flat angles C4'-P-C4' energy: -50.635
flat angles P-C4'-P energy: -25.801
tors. eta vs tors. theta energy: -54.345
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: 7, replica: 8
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -586.394052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.394052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.394052 (E_RNA)
where:
Base-Base interactions energy: -371.383
where: short stacking energy: -162.855
Base-Backbone interact. energy: 0.704
local terms energy: -215.714932
where:
bonds (distance) C4'-P energy: -48.479
bonds (distance) P-C4' energy: -51.968
flat angles C4'-P-C4' energy: -39.607
flat angles P-C4'-P energy: -36.613
tors. eta vs tors. theta energy: -39.048
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: 1
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -618.666209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.666209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.666209 (E_RNA)
where:
Base-Base interactions energy: -392.684
where: short stacking energy: -161.186
Base-Backbone interact. energy: -1.761
local terms energy: -224.221189
where:
bonds (distance) C4'-P energy: -43.850
bonds (distance) P-C4' energy: -49.817
flat angles C4'-P-C4' energy: -47.643
flat angles P-C4'-P energy: -44.127
tors. eta vs tors. theta energy: -38.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -280.913069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.913069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.913069 (E_RNA)
where:
Base-Base interactions energy: -133.409
where: short stacking energy: -77.951
Base-Backbone interact. energy: -0.058
local terms energy: -147.446573
where:
bonds (distance) C4'-P energy: -34.018
bonds (distance) P-C4' energy: -49.331
flat angles C4'-P-C4' energy: -41.896
flat angles P-C4'-P energy: -24.836
tors. eta vs tors. theta energy: 2.635
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: 9
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -273.611041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.611041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.611041 (E_RNA)
where:
Base-Base interactions energy: -127.182
where: short stacking energy: -78.108
Base-Backbone interact. energy: -0.759
local terms energy: -145.670647
where:
bonds (distance) C4'-P energy: -26.520
bonds (distance) P-C4' energy: -44.781
flat angles C4'-P-C4' energy: -42.075
flat angles P-C4'-P energy: -29.352
tors. eta vs tors. theta energy: -2.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -905.041569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.041569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.041569 (E_RNA)
where:
Base-Base interactions energy: -613.277
where: short stacking energy: -264.680
Base-Backbone interact. energy: -0.809
local terms energy: -290.955761
where:
bonds (distance) C4'-P energy: -54.957
bonds (distance) P-C4' energy: -52.660
flat angles C4'-P-C4' energy: -55.425
flat angles P-C4'-P energy: -40.198
tors. eta vs tors. theta energy: -87.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -882.458934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.458934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.458934 (E_RNA)
where:
Base-Base interactions energy: -607.969
where: short stacking energy: -256.623
Base-Backbone interact. energy: -0.375
local terms energy: -274.114811
where:
bonds (distance) C4'-P energy: -57.426
bonds (distance) P-C4' energy: -48.120
flat angles C4'-P-C4' energy: -56.976
flat angles P-C4'-P energy: -42.342
tors. eta vs tors. theta energy: -69.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -845.192115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.192115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.192115 (E_RNA)
where:
Base-Base interactions energy: -590.634
where: short stacking energy: -255.748
Base-Backbone interact. energy: -1.116
local terms energy: -253.442163
where:
bonds (distance) C4'-P energy: -45.020
bonds (distance) P-C4' energy: -49.018
flat angles C4'-P-C4' energy: -53.640
flat angles P-C4'-P energy: -41.554
tors. eta vs tors. theta energy: -64.209
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: 4, replica: 7
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -763.234462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.234462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.234462 (E_RNA)
where:
Base-Base interactions energy: -512.517
where: short stacking energy: -245.986
Base-Backbone interact. energy: -0.108
local terms energy: -250.609134
where:
bonds (distance) C4'-P energy: -47.812
bonds (distance) P-C4' energy: -59.915
flat angles C4'-P-C4' energy: -47.627
flat angles P-C4'-P energy: -34.045
tors. eta vs tors. theta energy: -61.210
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: 6
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -771.256001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.256001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.256001 (E_RNA)
where:
Base-Base interactions energy: -519.965
where: short stacking energy: -237.267
Base-Backbone interact. energy: -1.143
local terms energy: -250.147828
where:
bonds (distance) C4'-P energy: -36.362
bonds (distance) P-C4' energy: -53.700
flat angles C4'-P-C4' energy: -60.338
flat angles P-C4'-P energy: -32.019
tors. eta vs tors. theta energy: -67.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -688.053304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.053304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.053304 (E_RNA)
where:
Base-Base interactions energy: -456.060
where: short stacking energy: -212.749
Base-Backbone interact. energy: -0.942
local terms energy: -231.050900
where:
bonds (distance) C4'-P energy: -38.164
bonds (distance) P-C4' energy: -40.498
flat angles C4'-P-C4' energy: -58.751
flat angles P-C4'-P energy: -38.481
tors. eta vs tors. theta energy: -55.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -618.801542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.801542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.801542 (E_RNA)
where:
Base-Base interactions energy: -386.475
where: short stacking energy: -178.570
Base-Backbone interact. energy: -0.035
local terms energy: -232.291574
where:
bonds (distance) C4'-P energy: -50.678
bonds (distance) P-C4' energy: -55.266
flat angles C4'-P-C4' energy: -49.023
flat angles P-C4'-P energy: -29.708
tors. eta vs tors. theta energy: -47.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -565.384485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.384485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.384485 (E_RNA)
where:
Base-Base interactions energy: -372.565
where: short stacking energy: -155.308
Base-Backbone interact. energy: 2.422
local terms energy: -195.241601
where:
bonds (distance) C4'-P energy: -42.474
bonds (distance) P-C4' energy: -44.314
flat angles C4'-P-C4' energy: -39.234
flat angles P-C4'-P energy: -35.221
tors. eta vs tors. theta energy: -33.999
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: 9
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -330.375006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.375006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.375006 (E_RNA)
where:
Base-Base interactions energy: -155.765
where: short stacking energy: -87.294
Base-Backbone interact. energy: -0.206
local terms energy: -174.404592
where:
bonds (distance) C4'-P energy: -45.853
bonds (distance) P-C4' energy: -47.564
flat angles C4'-P-C4' energy: -51.766
flat angles P-C4'-P energy: -25.060
tors. eta vs tors. theta energy: -4.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -277.826147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.826147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.826147 (E_RNA)
where:
Base-Base interactions energy: -116.190
where: short stacking energy: -67.610
Base-Backbone interact. energy: 0.237
local terms energy: -161.872838
where:
bonds (distance) C4'-P energy: -47.542
bonds (distance) P-C4' energy: -45.194
flat angles C4'-P-C4' energy: -44.765
flat angles P-C4'-P energy: -23.302
tors. eta vs tors. theta energy: -1.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -907.912181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.912181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.912181 (E_RNA)
where:
Base-Base interactions energy: -610.112
where: short stacking energy: -269.318
Base-Backbone interact. energy: -0.827
local terms energy: -296.972751
where:
bonds (distance) C4'-P energy: -55.319
bonds (distance) P-C4' energy: -55.824
flat angles C4'-P-C4' energy: -61.491
flat angles P-C4'-P energy: -45.989
tors. eta vs tors. theta energy: -78.350
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: 3
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -869.652722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.652722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.652722 (E_RNA)
where:
Base-Base interactions energy: -614.136
where: short stacking energy: -248.819
Base-Backbone interact. energy: 0.334
local terms energy: -255.850861
where:
bonds (distance) C4'-P energy: -46.255
bonds (distance) P-C4' energy: -49.726
flat angles C4'-P-C4' energy: -56.178
flat angles P-C4'-P energy: -35.639
tors. eta vs tors. theta energy: -68.053
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: 5
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -867.921923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.921923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.921923 (E_RNA)
where:
Base-Base interactions energy: -601.870
where: short stacking energy: -269.632
Base-Backbone interact. energy: -0.326
local terms energy: -265.725199
where:
bonds (distance) C4'-P energy: -51.539
bonds (distance) P-C4' energy: -51.464
flat angles C4'-P-C4' energy: -54.309
flat angles P-C4'-P energy: -34.428
tors. eta vs tors. theta energy: -73.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -760.046157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.046157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.046157 (E_RNA)
where:
Base-Base interactions energy: -518.159
where: short stacking energy: -226.665
Base-Backbone interact. energy: 1.770
local terms energy: -243.657659
where:
bonds (distance) C4'-P energy: -41.109
bonds (distance) P-C4' energy: -51.937
flat angles C4'-P-C4' energy: -51.951
flat angles P-C4'-P energy: -40.003
tors. eta vs tors. theta energy: -58.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -763.062863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.062863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.062863 (E_RNA)
where:
Base-Base interactions energy: -509.512
where: short stacking energy: -226.977
Base-Backbone interact. energy: -0.424
local terms energy: -253.127453
where:
bonds (distance) C4'-P energy: -56.953
bonds (distance) P-C4' energy: -46.599
flat angles C4'-P-C4' energy: -51.471
flat angles P-C4'-P energy: -36.300
tors. eta vs tors. theta energy: -61.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -696.507910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.507910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.507910 (E_RNA)
where:
Base-Base interactions energy: -468.602
where: short stacking energy: -210.523
Base-Backbone interact. energy: -0.522
local terms energy: -227.383976
where:
bonds (distance) C4'-P energy: -39.768
bonds (distance) P-C4' energy: -48.347
flat angles C4'-P-C4' energy: -52.553
flat angles P-C4'-P energy: -36.867
tors. eta vs tors. theta energy: -49.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -596.502112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.502112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.502112 (E_RNA)
where:
Base-Base interactions energy: -382.113
where: short stacking energy: -179.992
Base-Backbone interact. energy: -1.269
local terms energy: -213.120328
where:
bonds (distance) C4'-P energy: -46.485
bonds (distance) P-C4' energy: -53.785
flat angles C4'-P-C4' energy: -43.349
flat angles P-C4'-P energy: -22.528
tors. eta vs tors. theta energy: -46.973
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: 8
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -580.970948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.970948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.970948 (E_RNA)
where:
Base-Base interactions energy: -379.085
where: short stacking energy: -184.106
Base-Backbone interact. energy: 1.208
local terms energy: -203.094426
where:
bonds (distance) C4'-P energy: -53.791
bonds (distance) P-C4' energy: -34.707
flat angles C4'-P-C4' energy: -48.273
flat angles P-C4'-P energy: -34.155
tors. eta vs tors. theta energy: -32.169
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: 9, replica: 9
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -298.835390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.835390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.835390 (E_RNA)
where:
Base-Base interactions energy: -147.867
where: short stacking energy: -93.332
Base-Backbone interact. energy: 0.282
local terms energy: -151.250319
where:
bonds (distance) C4'-P energy: -37.269
bonds (distance) P-C4' energy: -39.816
flat angles C4'-P-C4' energy: -43.992
flat angles P-C4'-P energy: -23.550
tors. eta vs tors. theta energy: -6.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -249.607271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.607271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.607271 (E_RNA)
where:
Base-Base interactions energy: -99.214
where: short stacking energy: -67.073
Base-Backbone interact. energy: 0.229
local terms energy: -150.622425
where:
bonds (distance) C4'-P energy: -48.093
bonds (distance) P-C4' energy: -45.517
flat angles C4'-P-C4' energy: -38.967
flat angles P-C4'-P energy: -21.617
tors. eta vs tors. theta energy: 3.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -931.500982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.500982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.500982 (E_RNA)
where:
Base-Base interactions energy: -649.311
where: short stacking energy: -297.449
Base-Backbone interact. energy: 0.042
local terms energy: -282.232588
where:
bonds (distance) C4'-P energy: -46.046
bonds (distance) P-C4' energy: -50.473
flat angles C4'-P-C4' energy: -61.367
flat angles P-C4'-P energy: -42.424
tors. eta vs tors. theta energy: -81.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -865.425424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.425424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.425424 (E_RNA)
where:
Base-Base interactions energy: -589.237
where: short stacking energy: -250.705
Base-Backbone interact. energy: -0.919
local terms energy: -275.269675
where:
bonds (distance) C4'-P energy: -45.683
bonds (distance) P-C4' energy: -56.770
flat angles C4'-P-C4' energy: -65.454
flat angles P-C4'-P energy: -38.342
tors. eta vs tors. theta energy: -69.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -865.337045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.337045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.337045 (E_RNA)
where:
Base-Base interactions energy: -600.295
where: short stacking energy: -261.730
Base-Backbone interact. energy: 2.917
local terms energy: -267.958627
where:
bonds (distance) C4'-P energy: -53.734
bonds (distance) P-C4' energy: -49.717
flat angles C4'-P-C4' energy: -58.062
flat angles P-C4'-P energy: -37.873
tors. eta vs tors. theta energy: -68.572
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: 7
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -774.690864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.690864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.690864 (E_RNA)
where:
Base-Base interactions energy: -523.756
where: short stacking energy: -242.370
Base-Backbone interact. energy: -0.549
local terms energy: -250.385978
where:
bonds (distance) C4'-P energy: -48.167
bonds (distance) P-C4' energy: -52.205
flat angles C4'-P-C4' energy: -55.086
flat angles P-C4'-P energy: -29.790
tors. eta vs tors. theta energy: -65.139
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: 6
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -748.561251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.561251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.561251 (E_RNA)
where:
Base-Base interactions energy: -503.010
where: short stacking energy: -220.096
Base-Backbone interact. energy: -0.678
local terms energy: -244.872800
where:
bonds (distance) C4'-P energy: -45.468
bonds (distance) P-C4' energy: -51.996
flat angles C4'-P-C4' energy: -55.376
flat angles P-C4'-P energy: -32.191
tors. eta vs tors. theta energy: -59.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -684.615016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.615016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.615016 (E_RNA)
where:
Base-Base interactions energy: -460.522
where: short stacking energy: -201.926
Base-Backbone interact. energy: -0.813
local terms energy: -223.280353
where:
bonds (distance) C4'-P energy: -38.442
bonds (distance) P-C4' energy: -47.130
flat angles C4'-P-C4' energy: -47.648
flat angles P-C4'-P energy: -38.333
tors. eta vs tors. theta energy: -51.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -613.288227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.288227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.288227 (E_RNA)
where:
Base-Base interactions energy: -412.173
where: short stacking energy: -182.307
Base-Backbone interact. energy: -0.682
local terms energy: -200.433178
where:
bonds (distance) C4'-P energy: -33.353
bonds (distance) P-C4' energy: -51.216
flat angles C4'-P-C4' energy: -49.755
flat angles P-C4'-P energy: -28.058
tors. eta vs tors. theta energy: -38.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -562.283480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.283480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.283480 (E_RNA)
where:
Base-Base interactions energy: -371.142
where: short stacking energy: -165.485
Base-Backbone interact. energy: -0.231
local terms energy: -190.910898
where:
bonds (distance) C4'-P energy: -44.242
bonds (distance) P-C4' energy: -37.223
flat angles C4'-P-C4' energy: -49.976
flat angles P-C4'-P energy: -25.497
tors. eta vs tors. theta energy: -33.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -299.620796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.620796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.620796 (E_RNA)
where:
Base-Base interactions energy: -160.061
where: short stacking energy: -84.332
Base-Backbone interact. energy: -0.332
local terms energy: -139.228030
where:
bonds (distance) C4'-P energy: -41.295
bonds (distance) P-C4' energy: -47.304
flat angles C4'-P-C4' energy: -33.067
flat angles P-C4'-P energy: -15.249
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: 10, replica: 10
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -258.097674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.097674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.097674 (E_RNA)
where:
Base-Base interactions energy: -92.339
where: short stacking energy: -87.158
Base-Backbone interact. energy: -1.851
local terms energy: -163.907850
where:
bonds (distance) C4'-P energy: -43.856
bonds (distance) P-C4' energy: -53.323
flat angles C4'-P-C4' energy: -38.071
flat angles P-C4'-P energy: -29.793
tors. eta vs tors. theta energy: 1.136
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: 2
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -921.825929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.825929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.825929 (E_RNA)
where:
Base-Base interactions energy: -630.121
where: short stacking energy: -277.083
Base-Backbone interact. energy: -0.158
local terms energy: -291.547514
where:
bonds (distance) C4'-P energy: -55.938
bonds (distance) P-C4' energy: -52.849
flat angles C4'-P-C4' energy: -61.307
flat angles P-C4'-P energy: -45.762
tors. eta vs tors. theta energy: -75.691
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: 5
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -894.093420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.093420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.093420 (E_RNA)
where:
Base-Base interactions energy: -614.516
where: short stacking energy: -268.060
Base-Backbone interact. energy: -0.266
local terms energy: -279.311201
where:
bonds (distance) C4'-P energy: -54.253
bonds (distance) P-C4' energy: -53.177
flat angles C4'-P-C4' energy: -55.746
flat angles P-C4'-P energy: -42.348
tors. eta vs tors. theta energy: -73.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -851.186905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.186905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.186905 (E_RNA)
where:
Base-Base interactions energy: -579.540
where: short stacking energy: -255.947
Base-Backbone interact. energy: -1.748
local terms energy: -269.898885
where:
bonds (distance) C4'-P energy: -55.600
bonds (distance) P-C4' energy: -47.180
flat angles C4'-P-C4' energy: -54.512
flat angles P-C4'-P energy: -43.034
tors. eta vs tors. theta energy: -69.572
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: 6
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -747.484059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.484059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.484059 (E_RNA)
where:
Base-Base interactions energy: -498.599
where: short stacking energy: -209.531
Base-Backbone interact. energy: -0.587
local terms energy: -248.297855
where:
bonds (distance) C4'-P energy: -55.160
bonds (distance) P-C4' energy: -54.719
flat angles C4'-P-C4' energy: -58.213
flat angles P-C4'-P energy: -35.120
tors. eta vs tors. theta energy: -45.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -724.756190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.756190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.756190 (E_RNA)
where:
Base-Base interactions energy: -481.792
where: short stacking energy: -201.695
Base-Backbone interact. energy: -0.057
local terms energy: -242.907269
where:
bonds (distance) C4'-P energy: -47.622
bonds (distance) P-C4' energy: -51.244
flat angles C4'-P-C4' energy: -62.845
flat angles P-C4'-P energy: -31.346
tors. eta vs tors. theta energy: -49.851
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: 4
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -685.057980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.057980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.057980 (E_RNA)
where:
Base-Base interactions energy: -465.859
where: short stacking energy: -210.976
Base-Backbone interact. energy: -1.229
local terms energy: -217.969671
where:
bonds (distance) C4'-P energy: -43.316
bonds (distance) P-C4' energy: -45.681
flat angles C4'-P-C4' energy: -47.945
flat angles P-C4'-P energy: -32.935
tors. eta vs tors. theta energy: -48.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -592.504367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.504367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.504367 (E_RNA)
where:
Base-Base interactions energy: -381.785
where: short stacking energy: -180.961
Base-Backbone interact. energy: -1.046
local terms energy: -209.673282
where:
bonds (distance) C4'-P energy: -41.765
bonds (distance) P-C4' energy: -51.203
flat angles C4'-P-C4' energy: -48.087
flat angles P-C4'-P energy: -31.168
tors. eta vs tors. theta energy: -37.449
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: 1
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -587.414477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.414477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.414477 (E_RNA)
where:
Base-Base interactions energy: -369.334
where: short stacking energy: -175.794
Base-Backbone interact. energy: 1.342
local terms energy: -219.422802
where:
bonds (distance) C4'-P energy: -51.262
bonds (distance) P-C4' energy: -51.969
flat angles C4'-P-C4' energy: -56.803
flat angles P-C4'-P energy: -18.469
tors. eta vs tors. theta energy: -40.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -295.778282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.778282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.778282 (E_RNA)
where:
Base-Base interactions energy: -160.242
where: short stacking energy: -85.943
Base-Backbone interact. energy: -0.843
local terms energy: -134.692533
where:
bonds (distance) C4'-P energy: -44.817
bonds (distance) P-C4' energy: -44.912
flat angles C4'-P-C4' energy: -37.119
flat angles P-C4'-P energy: -13.590
tors. eta vs tors. theta energy: 5.745
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: 10
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -213.896201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.896201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.896201 (E_RNA)
where:
Base-Base interactions energy: -81.065
where: short stacking energy: -68.272
Base-Backbone interact. energy: 0.605
local terms energy: -133.437114
where:
bonds (distance) C4'-P energy: -32.709
bonds (distance) P-C4' energy: -47.181
flat angles C4'-P-C4' energy: -39.743
flat angles P-C4'-P energy: -17.523
tors. eta vs tors. theta energy: 3.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -904.239482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.239482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.239482 (E_RNA)
where:
Base-Base interactions energy: -626.503
where: short stacking energy: -285.673
Base-Backbone interact. energy: -1.123
local terms energy: -276.612828
where:
bonds (distance) C4'-P energy: -46.479
bonds (distance) P-C4' energy: -49.560
flat angles C4'-P-C4' energy: -62.179
flat angles P-C4'-P energy: -37.234
tors. eta vs tors. theta energy: -81.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -893.532499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.532499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.532499 (E_RNA)
where:
Base-Base interactions energy: -609.503
where: short stacking energy: -248.827
Base-Backbone interact. energy: -1.911
local terms energy: -282.118332
where:
bonds (distance) C4'-P energy: -57.500
bonds (distance) P-C4' energy: -54.577
flat angles C4'-P-C4' energy: -59.141
flat angles P-C4'-P energy: -42.979
tors. eta vs tors. theta energy: -67.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -843.297817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.297817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.297817 (E_RNA)
where:
Base-Base interactions energy: -582.770
where: short stacking energy: -252.016
Base-Backbone interact. energy: -1.783
local terms energy: -258.744407
where:
bonds (distance) C4'-P energy: -43.398
bonds (distance) P-C4' energy: -52.991
flat angles C4'-P-C4' energy: -53.018
flat angles P-C4'-P energy: -42.177
tors. eta vs tors. theta energy: -67.161
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: 6
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -788.896146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.896146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.896146 (E_RNA)
where:
Base-Base interactions energy: -545.201
where: short stacking energy: -225.555
Base-Backbone interact. energy: -1.466
local terms energy: -242.229280
where:
bonds (distance) C4'-P energy: -46.035
bonds (distance) P-C4' energy: -57.246
flat angles C4'-P-C4' energy: -54.708
flat angles P-C4'-P energy: -33.044
tors. eta vs tors. theta energy: -51.197
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: 4
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -703.644857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.644857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.644857 (E_RNA)
where:
Base-Base interactions energy: -454.718
where: short stacking energy: -215.252
Base-Backbone interact. energy: -1.243
local terms energy: -247.684586
where:
bonds (distance) C4'-P energy: -47.153
bonds (distance) P-C4' energy: -52.361
flat angles C4'-P-C4' energy: -52.824
flat angles P-C4'-P energy: -41.255
tors. eta vs tors. theta energy: -54.092
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: 7
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -715.771518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.771518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.771518 (E_RNA)
where:
Base-Base interactions energy: -469.907
where: short stacking energy: -202.162
Base-Backbone interact. energy: -0.297
local terms energy: -245.567011
where:
bonds (distance) C4'-P energy: -50.466
bonds (distance) P-C4' energy: -38.420
flat angles C4'-P-C4' energy: -58.113
flat angles P-C4'-P energy: -46.337
tors. eta vs tors. theta energy: -52.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -588.934667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.934667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.934667 (E_RNA)
where:
Base-Base interactions energy: -383.835
where: short stacking energy: -169.205
Base-Backbone interact. energy: -0.610
local terms energy: -204.489923
where:
bonds (distance) C4'-P energy: -40.058
bonds (distance) P-C4' energy: -54.352
flat angles C4'-P-C4' energy: -51.537
flat angles P-C4'-P energy: -30.444
tors. eta vs tors. theta energy: -28.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -550.285927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.285927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.285927 (E_RNA)
where:
Base-Base interactions energy: -359.265
where: short stacking energy: -172.631
Base-Backbone interact. energy: 1.255
local terms energy: -192.276259
where:
bonds (distance) C4'-P energy: -36.492
bonds (distance) P-C4' energy: -47.996
flat angles C4'-P-C4' energy: -46.064
flat angles P-C4'-P energy: -18.709
tors. eta vs tors. theta energy: -43.016
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: 9, replica: 9
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -311.415174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.415174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.415174 (E_RNA)
where:
Base-Base interactions energy: -160.464
where: short stacking energy: -90.647
Base-Backbone interact. energy: -0.424
local terms energy: -150.527044
where:
bonds (distance) C4'-P energy: -40.811
bonds (distance) P-C4' energy: -26.631
flat angles C4'-P-C4' energy: -49.002
flat angles P-C4'-P energy: -30.675
tors. eta vs tors. theta energy: -3.407
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: 10, replica: 10
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -227.020155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.020155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.020155 (E_RNA)
where:
Base-Base interactions energy: -71.314
where: short stacking energy: -65.767
Base-Backbone interact. energy: -1.202
local terms energy: -154.504296
where:
bonds (distance) C4'-P energy: -43.651
bonds (distance) P-C4' energy: -53.980
flat angles C4'-P-C4' energy: -46.272
flat angles P-C4'-P energy: -16.019
tors. eta vs tors. theta energy: 5.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -898.757666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.757666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.757666 (E_RNA)
where:
Base-Base interactions energy: -608.594
where: short stacking energy: -273.698
Base-Backbone interact. energy: -0.340
local terms energy: -289.824337
where:
bonds (distance) C4'-P energy: -52.397
bonds (distance) P-C4' energy: -57.160
flat angles C4'-P-C4' energy: -59.964
flat angles P-C4'-P energy: -47.799
tors. eta vs tors. theta energy: -72.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -889.065327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.065327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.065327 (E_RNA)
where:
Base-Base interactions energy: -630.222
where: short stacking energy: -260.592
Base-Backbone interact. energy: 1.254
local terms energy: -260.096743
where:
bonds (distance) C4'-P energy: -45.068
bonds (distance) P-C4' energy: -49.841
flat angles C4'-P-C4' energy: -56.075
flat angles P-C4'-P energy: -33.196
tors. eta vs tors. theta energy: -75.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -840.192967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.192967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.192967 (E_RNA)
where:
Base-Base interactions energy: -582.926
where: short stacking energy: -243.913
Base-Backbone interact. energy: 0.408
local terms energy: -257.674622
where:
bonds (distance) C4'-P energy: -51.681
bonds (distance) P-C4' energy: -49.211
flat angles C4'-P-C4' energy: -56.173
flat angles P-C4'-P energy: -38.652
tors. eta vs tors. theta energy: -61.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -790.359761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.359761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.359761 (E_RNA)
where:
Base-Base interactions energy: -537.060
where: short stacking energy: -238.799
Base-Backbone interact. energy: 0.529
local terms energy: -253.828563
where:
bonds (distance) C4'-P energy: -47.459
bonds (distance) P-C4' energy: -50.609
flat angles C4'-P-C4' energy: -56.035
flat angles P-C4'-P energy: -39.508
tors. eta vs tors. theta energy: -60.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -711.245976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.245976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.245976 (E_RNA)
where:
Base-Base interactions energy: -461.871
where: short stacking energy: -198.920
Base-Backbone interact. energy: -1.875
local terms energy: -247.500526
where:
bonds (distance) C4'-P energy: -48.402
bonds (distance) P-C4' energy: -53.492
flat angles C4'-P-C4' energy: -55.677
flat angles P-C4'-P energy: -39.019
tors. eta vs tors. theta energy: -50.910
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: 7
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -692.521259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.521259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.521259 (E_RNA)
where:
Base-Base interactions energy: -455.754
where: short stacking energy: -213.721
Base-Backbone interact. energy: -1.156
local terms energy: -235.610625
where:
bonds (distance) C4'-P energy: -55.988
bonds (distance) P-C4' energy: -41.429
flat angles C4'-P-C4' energy: -46.894
flat angles P-C4'-P energy: -36.189
tors. eta vs tors. theta energy: -55.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -584.467256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.467256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.467256 (E_RNA)
where:
Base-Base interactions energy: -364.282
where: short stacking energy: -160.250
Base-Backbone interact. energy: 0.931
local terms energy: -221.116377
where:
bonds (distance) C4'-P energy: -53.151
bonds (distance) P-C4' energy: -50.386
flat angles C4'-P-C4' energy: -47.617
flat angles P-C4'-P energy: -32.137
tors. eta vs tors. theta energy: -37.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -542.570302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.570302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.570302 (E_RNA)
where:
Base-Base interactions energy: -363.648
where: short stacking energy: -155.480
Base-Backbone interact. energy: 1.909
local terms energy: -180.831893
where:
bonds (distance) C4'-P energy: -33.830
bonds (distance) P-C4' energy: -45.802
flat angles C4'-P-C4' energy: -44.483
flat angles P-C4'-P energy: -21.942
tors. eta vs tors. theta energy: -34.775
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: 9
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -315.948827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.948827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.948827 (E_RNA)
where:
Base-Base interactions energy: -152.011
where: short stacking energy: -106.657
Base-Backbone interact. energy: -0.302
local terms energy: -163.636091
where:
bonds (distance) C4'-P energy: -36.068
bonds (distance) P-C4' energy: -47.586
flat angles C4'-P-C4' energy: -50.891
flat angles P-C4'-P energy: -15.103
tors. eta vs tors. theta energy: -13.989
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: 10
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -244.597416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.597416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.597416 (E_RNA)
where:
Base-Base interactions energy: -99.284
where: short stacking energy: -70.057
Base-Backbone interact. energy: -1.200
local terms energy: -144.113057
where:
bonds (distance) C4'-P energy: -42.406
bonds (distance) P-C4' energy: -45.060
flat angles C4'-P-C4' energy: -39.048
flat angles P-C4'-P energy: -25.221
tors. eta vs tors. theta energy: 7.622
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: 456
Temperature: 0.900000
Total energy: -918.911691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.911691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.911691 (E_RNA)
where:
Base-Base interactions energy: -632.760
where: short stacking energy: -265.791
Base-Backbone interact. energy: -1.730
local terms energy: -284.421764
where:
bonds (distance) C4'-P energy: -44.364
bonds (distance) P-C4' energy: -56.200
flat angles C4'-P-C4' energy: -63.266
flat angles P-C4'-P energy: -41.269
tors. eta vs tors. theta energy: -79.323
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: 2
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -884.982816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.982816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.982816 (E_RNA)
where:
Base-Base interactions energy: -603.884
where: short stacking energy: -263.507
Base-Backbone interact. energy: -0.733
local terms energy: -280.365509
where:
bonds (distance) C4'-P energy: -54.104
bonds (distance) P-C4' energy: -53.427
flat angles C4'-P-C4' energy: -58.314
flat angles P-C4'-P energy: -41.878
tors. eta vs tors. theta energy: -72.642
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: 6
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -833.160701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.160701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.160701 (E_RNA)
where:
Base-Base interactions energy: -574.309
where: short stacking energy: -246.677
Base-Backbone interact. energy: -0.515
local terms energy: -258.336115
where:
bonds (distance) C4'-P energy: -46.521
bonds (distance) P-C4' energy: -49.061
flat angles C4'-P-C4' energy: -54.502
flat angles P-C4'-P energy: -39.307
tors. eta vs tors. theta energy: -68.945
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: 3
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -826.637003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.637003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.637003 (E_RNA)
where:
Base-Base interactions energy: -566.197
where: short stacking energy: -234.697
Base-Backbone interact. energy: -1.689
local terms energy: -258.750473
where:
bonds (distance) C4'-P energy: -47.726
bonds (distance) P-C4' energy: -49.418
flat angles C4'-P-C4' energy: -58.048
flat angles P-C4'-P energy: -34.050
tors. eta vs tors. theta energy: -69.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -732.452476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.452476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.452476 (E_RNA)
where:
Base-Base interactions energy: -493.278
where: short stacking energy: -221.219
Base-Backbone interact. energy: 3.310
local terms energy: -242.483946
where:
bonds (distance) C4'-P energy: -44.718
bonds (distance) P-C4' energy: -43.450
flat angles C4'-P-C4' energy: -58.041
flat angles P-C4'-P energy: -33.985
tors. eta vs tors. theta energy: -62.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -660.873125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.873125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.873125 (E_RNA)
where:
Base-Base interactions energy: -449.849
where: short stacking energy: -194.219
Base-Backbone interact. energy: 0.252
local terms energy: -211.276059
where:
bonds (distance) C4'-P energy: -43.479
bonds (distance) P-C4' energy: -47.507
flat angles C4'-P-C4' energy: -49.983
flat angles P-C4'-P energy: -29.192
tors. eta vs tors. theta energy: -41.116
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: 1
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -598.090371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.090371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.090371 (E_RNA)
where:
Base-Base interactions energy: -370.167
where: short stacking energy: -175.864
Base-Backbone interact. energy: -1.362
local terms energy: -226.561413
where:
bonds (distance) C4'-P energy: -43.650
bonds (distance) P-C4' energy: -55.656
flat angles C4'-P-C4' energy: -57.375
flat angles P-C4'-P energy: -29.998
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: 8, replica: 8
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -537.775801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.775801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.775801 (E_RNA)
where:
Base-Base interactions energy: -358.000
where: short stacking energy: -153.922
Base-Backbone interact. energy: -0.396
local terms energy: -179.379202
where:
bonds (distance) C4'-P energy: -37.530
bonds (distance) P-C4' energy: -50.736
flat angles C4'-P-C4' energy: -48.996
flat angles P-C4'-P energy: -20.122
tors. eta vs tors. theta energy: -21.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -319.751276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.751276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.751276 (E_RNA)
where:
Base-Base interactions energy: -170.124
where: short stacking energy: -103.872
Base-Backbone interact. energy: -0.040
local terms energy: -149.587016
where:
bonds (distance) C4'-P energy: -25.143
bonds (distance) P-C4' energy: -54.937
flat angles C4'-P-C4' energy: -39.054
flat angles P-C4'-P energy: -15.362
tors. eta vs tors. theta energy: -15.091
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: 10
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -209.937190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.937190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.937190 (E_RNA)
where:
Base-Base interactions energy: -69.417
where: short stacking energy: -53.853
Base-Backbone interact. energy: -1.278
local terms energy: -139.242176
where:
bonds (distance) C4'-P energy: -42.989
bonds (distance) P-C4' energy: -51.310
flat angles C4'-P-C4' energy: -29.962
flat angles P-C4'-P energy: -28.349
tors. eta vs tors. theta energy: 13.368
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: 5
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -891.242242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.242242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.242242 (E_RNA)
where:
Base-Base interactions energy: -618.897
where: short stacking energy: -272.222
Base-Backbone interact. energy: 0.718
local terms energy: -273.063617
where:
bonds (distance) C4'-P energy: -43.309
bonds (distance) P-C4' energy: -57.844
flat angles C4'-P-C4' energy: -55.910
flat angles P-C4'-P energy: -41.936
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: 2, replica: 2
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -886.951483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.951483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.951483 (E_RNA)
where:
Base-Base interactions energy: -597.446
where: short stacking energy: -260.608
Base-Backbone interact. energy: -0.517
local terms energy: -288.988900
where:
bonds (distance) C4'-P energy: -55.059
bonds (distance) P-C4' energy: -59.818
flat angles C4'-P-C4' energy: -59.375
flat angles P-C4'-P energy: -39.222
tors. eta vs tors. theta energy: -75.514
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: 6
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -833.487152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.487152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.487152 (E_RNA)
where:
Base-Base interactions energy: -572.216
where: short stacking energy: -252.797
Base-Backbone interact. energy: -1.073
local terms energy: -260.197884
where:
bonds (distance) C4'-P energy: -48.939
bonds (distance) P-C4' energy: -59.891
flat angles C4'-P-C4' energy: -53.328
flat angles P-C4'-P energy: -31.041
tors. eta vs tors. theta energy: -66.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -851.576643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.576643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.576643 (E_RNA)
where:
Base-Base interactions energy: -589.573
where: short stacking energy: -265.175
Base-Backbone interact. energy: -1.130
local terms energy: -260.873526
where:
bonds (distance) C4'-P energy: -41.078
bonds (distance) P-C4' energy: -47.025
flat angles C4'-P-C4' energy: -61.907
flat angles P-C4'-P energy: -35.545
tors. eta vs tors. theta energy: -75.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -718.605273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.605273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.605273 (E_RNA)
where:
Base-Base interactions energy: -484.836
where: short stacking energy: -214.090
Base-Backbone interact. energy: 0.073
local terms energy: -233.841984
where:
bonds (distance) C4'-P energy: -44.191
bonds (distance) P-C4' energy: -52.591
flat angles C4'-P-C4' energy: -49.210
flat angles P-C4'-P energy: -38.292
tors. eta vs tors. theta energy: -49.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -604.107660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.107660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.107660 (E_RNA)
where:
Base-Base interactions energy: -386.067
where: short stacking energy: -167.730
Base-Backbone interact. energy: -0.442
local terms energy: -217.598340
where:
bonds (distance) C4'-P energy: -46.238
bonds (distance) P-C4' energy: -49.527
flat angles C4'-P-C4' energy: -49.498
flat angles P-C4'-P energy: -35.599
tors. eta vs tors. theta energy: -36.737
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: 7
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -639.146093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.146093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.146093 (E_RNA)
where:
Base-Base interactions energy: -434.878
where: short stacking energy: -196.723
Base-Backbone interact. energy: -0.691
local terms energy: -203.577146
where:
bonds (distance) C4'-P energy: -40.967
bonds (distance) P-C4' energy: -47.057
flat angles C4'-P-C4' energy: -47.365
flat angles P-C4'-P energy: -19.397
tors. eta vs tors. theta energy: -48.791
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: 8
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -529.063045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.063045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.063045 (E_RNA)
where:
Base-Base interactions energy: -342.526
where: short stacking energy: -150.937
Base-Backbone interact. energy: -1.742
local terms energy: -184.795358
where:
bonds (distance) C4'-P energy: -41.328
bonds (distance) P-C4' energy: -51.762
flat angles C4'-P-C4' energy: -45.962
flat angles P-C4'-P energy: -24.885
tors. eta vs tors. theta energy: -20.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -332.698641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.698641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.698641 (E_RNA)
where:
Base-Base interactions energy: -165.521
where: short stacking energy: -101.460
Base-Backbone interact. energy: -0.608
local terms energy: -166.569623
where:
bonds (distance) C4'-P energy: -41.615
bonds (distance) P-C4' energy: -47.365
flat angles C4'-P-C4' energy: -49.130
flat angles P-C4'-P energy: -21.094
tors. eta vs tors. theta energy: -7.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -228.948569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.948569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.948569 (E_RNA)
where:
Base-Base interactions energy: -86.454
where: short stacking energy: -84.890
Base-Backbone interact. energy: 0.013
local terms energy: -142.507858
where:
bonds (distance) C4'-P energy: -46.606
bonds (distance) P-C4' energy: -47.250
flat angles C4'-P-C4' energy: -35.528
flat angles P-C4'-P energy: -19.837
tors. eta vs tors. theta energy: 6.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -909.632265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.632265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.632265 (E_RNA)
where:
Base-Base interactions energy: -623.267
where: short stacking energy: -274.600
Base-Backbone interact. energy: -0.433
local terms energy: -285.931842
where:
bonds (distance) C4'-P energy: -55.239
bonds (distance) P-C4' energy: -49.580
flat angles C4'-P-C4' energy: -63.333
flat angles P-C4'-P energy: -42.958
tors. eta vs tors. theta energy: -74.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -882.871833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.871833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.871833 (E_RNA)
where:
Base-Base interactions energy: -614.152
where: short stacking energy: -263.565
Base-Backbone interact. energy: 5.134
local terms energy: -273.853209
where:
bonds (distance) C4'-P energy: -46.130
bonds (distance) P-C4' energy: -48.125
flat angles C4'-P-C4' energy: -62.110
flat angles P-C4'-P energy: -41.095
tors. eta vs tors. theta energy: -76.393
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: 3
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -855.526868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.526868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.526868 (E_RNA)
where:
Base-Base interactions energy: -603.075
where: short stacking energy: -272.134
Base-Backbone interact. energy: 1.947
local terms energy: -254.398892
where:
bonds (distance) C4'-P energy: -47.956
bonds (distance) P-C4' energy: -41.075
flat angles C4'-P-C4' energy: -61.502
flat angles P-C4'-P energy: -35.945
tors. eta vs tors. theta energy: -67.922
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: 6
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -806.058388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.058388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.058388 (E_RNA)
where:
Base-Base interactions energy: -556.305
where: short stacking energy: -234.983
Base-Backbone interact. energy: -0.455
local terms energy: -249.298968
where:
bonds (distance) C4'-P energy: -48.006
bonds (distance) P-C4' energy: -41.583
flat angles C4'-P-C4' energy: -53.828
flat angles P-C4'-P energy: -40.240
tors. eta vs tors. theta energy: -65.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -703.729007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.729007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.729007 (E_RNA)
where:
Base-Base interactions energy: -481.721
where: short stacking energy: -215.863
Base-Backbone interact. energy: -2.017
local terms energy: -219.991335
where:
bonds (distance) C4'-P energy: -37.088
bonds (distance) P-C4' energy: -49.360
flat angles C4'-P-C4' energy: -48.443
flat angles P-C4'-P energy: -32.143
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: 6, replica: 1
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -646.440822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.440822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.440822 (E_RNA)
where:
Base-Base interactions energy: -401.882
where: short stacking energy: -186.965
Base-Backbone interact. energy: -0.884
local terms energy: -243.674495
where:
bonds (distance) C4'-P energy: -47.823
bonds (distance) P-C4' energy: -52.280
flat angles C4'-P-C4' energy: -60.034
flat angles P-C4'-P energy: -31.849
tors. eta vs tors. theta energy: -51.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -606.857326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.857326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.857326 (E_RNA)
where:
Base-Base interactions energy: -394.928
where: short stacking energy: -185.873
Base-Backbone interact. energy: -1.205
local terms energy: -210.724177
where:
bonds (distance) C4'-P energy: -31.954
bonds (distance) P-C4' energy: -55.867
flat angles C4'-P-C4' energy: -49.385
flat angles P-C4'-P energy: -30.535
tors. eta vs tors. theta energy: -42.983
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: 8, replica: 8
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -553.797564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.797564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.797564 (E_RNA)
where:
Base-Base interactions energy: -361.228
where: short stacking energy: -168.710
Base-Backbone interact. energy: -1.314
local terms energy: -191.255302
where:
bonds (distance) C4'-P energy: -40.463
bonds (distance) P-C4' energy: -40.916
flat angles C4'-P-C4' energy: -42.435
flat angles P-C4'-P energy: -28.213
tors. eta vs tors. theta energy: -39.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -361.914455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.914455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.914455 (E_RNA)
where:
Base-Base interactions energy: -209.141
where: short stacking energy: -113.489
Base-Backbone interact. energy: -0.588
local terms energy: -152.185454
where:
bonds (distance) C4'-P energy: -41.849
bonds (distance) P-C4' energy: -55.186
flat angles C4'-P-C4' energy: -35.544
flat angles P-C4'-P energy: -16.831
tors. eta vs tors. theta energy: -2.776
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: 10
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -243.782785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.782785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.782785 (E_RNA)
where:
Base-Base interactions energy: -96.192
where: short stacking energy: -81.046
Base-Backbone interact. energy: 1.542
local terms energy: -149.132982
where:
bonds (distance) C4'-P energy: -42.811
bonds (distance) P-C4' energy: -48.764
flat angles C4'-P-C4' energy: -32.019
flat angles P-C4'-P energy: -24.693
tors. eta vs tors. theta energy: -0.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -901.955244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.955244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.955244 (E_RNA)
where:
Base-Base interactions energy: -620.483
where: short stacking energy: -276.005
Base-Backbone interact. energy: -0.161
local terms energy: -281.310979
where:
bonds (distance) C4'-P energy: -51.486
bonds (distance) P-C4' energy: -45.572
flat angles C4'-P-C4' energy: -56.579
flat angles P-C4'-P energy: -42.836
tors. eta vs tors. theta energy: -84.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -861.546263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.546263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.546263 (E_RNA)
where:
Base-Base interactions energy: -590.147
where: short stacking energy: -259.215
Base-Backbone interact. energy: -1.634
local terms energy: -269.766172
where:
bonds (distance) C4'-P energy: -49.520
bonds (distance) P-C4' energy: -47.909
flat angles C4'-P-C4' energy: -63.145
flat angles P-C4'-P energy: -38.587
tors. eta vs tors. theta energy: -70.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -867.417188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.417188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.417188 (E_RNA)
where:
Base-Base interactions energy: -608.440
where: short stacking energy: -244.438
Base-Backbone interact. energy: -0.815
local terms energy: -258.162281
where:
bonds (distance) C4'-P energy: -45.089
bonds (distance) P-C4' energy: -53.495
flat angles C4'-P-C4' energy: -56.492
flat angles P-C4'-P energy: -36.943
tors. eta vs tors. theta energy: -66.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -744.586996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.586996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.586996 (E_RNA)
where:
Base-Base interactions energy: -508.188
where: short stacking energy: -230.641
Base-Backbone interact. energy: -0.600
local terms energy: -235.799077
where:
bonds (distance) C4'-P energy: -41.168
bonds (distance) P-C4' energy: -50.121
flat angles C4'-P-C4' energy: -50.788
flat angles P-C4'-P energy: -32.286
tors. eta vs tors. theta energy: -61.435
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: 6
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -786.289196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.289196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.289196 (E_RNA)
where:
Base-Base interactions energy: -552.239
where: short stacking energy: -236.987
Base-Backbone interact. energy: 2.772
local terms energy: -236.822160
where:
bonds (distance) C4'-P energy: -49.965
bonds (distance) P-C4' energy: -46.004
flat angles C4'-P-C4' energy: -42.999
flat angles P-C4'-P energy: -33.480
tors. eta vs tors. theta energy: -64.374
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: 7
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -634.368258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.368258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.368258 (E_RNA)
where:
Base-Base interactions energy: -422.328
where: short stacking energy: -177.447
Base-Backbone interact. energy: 0.866
local terms energy: -212.906992
where:
bonds (distance) C4'-P energy: -41.197
bonds (distance) P-C4' energy: -46.292
flat angles C4'-P-C4' energy: -56.607
flat angles P-C4'-P energy: -33.083
tors. eta vs tors. theta energy: -35.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -609.194456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.194456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.194456 (E_RNA)
where:
Base-Base interactions energy: -404.685
where: short stacking energy: -187.455
Base-Backbone interact. energy: -1.277
local terms energy: -203.232615
where:
bonds (distance) C4'-P energy: -40.127
bonds (distance) P-C4' energy: -42.861
flat angles C4'-P-C4' energy: -46.767
flat angles P-C4'-P energy: -33.992
tors. eta vs tors. theta energy: -39.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -575.519877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.519877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.519877 (E_RNA)
where:
Base-Base interactions energy: -353.308
where: short stacking energy: -164.514
Base-Backbone interact. energy: -0.098
local terms energy: -222.113916
where:
bonds (distance) C4'-P energy: -55.548
bonds (distance) P-C4' energy: -46.024
flat angles C4'-P-C4' energy: -54.015
flat angles P-C4'-P energy: -38.105
tors. eta vs tors. theta energy: -28.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -419.268940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.268940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.268940 (E_RNA)
where:
Base-Base interactions energy: -218.239
where: short stacking energy: -116.106
Base-Backbone interact. energy: -0.783
local terms energy: -200.247687
where:
bonds (distance) C4'-P energy: -51.101
bonds (distance) P-C4' energy: -50.629
flat angles C4'-P-C4' energy: -45.824
flat angles P-C4'-P energy: -33.268
tors. eta vs tors. theta energy: -19.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -235.636110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.636110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.636110 (E_RNA)
where:
Base-Base interactions energy: -93.069
where: short stacking energy: -63.333
Base-Backbone interact. energy: 0.530
local terms energy: -143.097094
where:
bonds (distance) C4'-P energy: -39.929
bonds (distance) P-C4' energy: -47.693
flat angles C4'-P-C4' energy: -35.497
flat angles P-C4'-P energy: -19.360
tors. eta vs tors. theta energy: -0.619
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: 460
Temperature: 0.900000
Total energy: -920.507183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.507183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.507183 (E_RNA)
where:
Base-Base interactions energy: -620.216
where: short stacking energy: -275.291
Base-Backbone interact. energy: -2.238
local terms energy: -298.052727
where:
bonds (distance) C4'-P energy: -54.390
bonds (distance) P-C4' energy: -59.180
flat angles C4'-P-C4' energy: -61.325
flat angles P-C4'-P energy: -41.985
tors. eta vs tors. theta energy: -81.172
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: 3
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -869.313950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.313950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.313950 (E_RNA)
where:
Base-Base interactions energy: -588.735
where: short stacking energy: -270.945
Base-Backbone interact. energy: -0.455
local terms energy: -280.123999
where:
bonds (distance) C4'-P energy: -49.713
bonds (distance) P-C4' energy: -53.565
flat angles C4'-P-C4' energy: -61.418
flat angles P-C4'-P energy: -39.904
tors. eta vs tors. theta energy: -75.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -860.953152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.953152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.953152 (E_RNA)
where:
Base-Base interactions energy: -583.995
where: short stacking energy: -262.419
Base-Backbone interact. energy: -1.186
local terms energy: -275.772393
where:
bonds (distance) C4'-P energy: -48.917
bonds (distance) P-C4' energy: -48.087
flat angles C4'-P-C4' energy: -59.826
flat angles P-C4'-P energy: -45.799
tors. eta vs tors. theta energy: -73.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -747.583636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.583636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.583636 (E_RNA)
where:
Base-Base interactions energy: -495.462
where: short stacking energy: -219.123
Base-Backbone interact. energy: 2.428
local terms energy: -254.549817
where:
bonds (distance) C4'-P energy: -54.844
bonds (distance) P-C4' energy: -54.247
flat angles C4'-P-C4' energy: -52.596
flat angles P-C4'-P energy: -27.254
tors. eta vs tors. theta energy: -65.608
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: 6
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -819.980748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.980748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.980748 (E_RNA)
where:
Base-Base interactions energy: -573.614
where: short stacking energy: -238.789
Base-Backbone interact. energy: -1.321
local terms energy: -245.044924
where:
bonds (distance) C4'-P energy: -41.717
bonds (distance) P-C4' energy: -49.477
flat angles C4'-P-C4' energy: -54.127
flat angles P-C4'-P energy: -36.206
tors. eta vs tors. theta energy: -63.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -654.898515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.898515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.898515 (E_RNA)
where:
Base-Base interactions energy: -433.342
where: short stacking energy: -171.803
Base-Backbone interact. energy: -3.708
local terms energy: -217.848934
where:
bonds (distance) C4'-P energy: -42.501
bonds (distance) P-C4' energy: -48.070
flat angles C4'-P-C4' energy: -48.142
flat angles P-C4'-P energy: -43.044
tors. eta vs tors. theta energy: -36.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -604.056688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.056688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.056688 (E_RNA)
where:
Base-Base interactions energy: -388.166
where: short stacking energy: -175.020
Base-Backbone interact. energy: -0.359
local terms energy: -215.531910
where:
bonds (distance) C4'-P energy: -51.168
bonds (distance) P-C4' energy: -50.031
flat angles C4'-P-C4' energy: -48.144
flat angles P-C4'-P energy: -32.046
tors. eta vs tors. theta energy: -34.143
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: 460
Temperature: 1.250000
Total energy: -576.261699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.261699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.261699 (E_RNA)
where:
Base-Base interactions energy: -383.667
where: short stacking energy: -165.145
Base-Backbone interact. energy: -0.789
local terms energy: -191.805744
where:
bonds (distance) C4'-P energy: -34.432
bonds (distance) P-C4' energy: -40.165
flat angles C4'-P-C4' energy: -54.504
flat angles P-C4'-P energy: -24.891
tors. eta vs tors. theta energy: -37.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -397.910677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.910677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.910677 (E_RNA)
where:
Base-Base interactions energy: -229.916
where: short stacking energy: -117.813
Base-Backbone interact. energy: -1.424
local terms energy: -166.570314
where:
bonds (distance) C4'-P energy: -45.547
bonds (distance) P-C4' energy: -38.555
flat angles C4'-P-C4' energy: -43.388
flat angles P-C4'-P energy: -23.265
tors. eta vs tors. theta energy: -15.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -229.656387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.656387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.656387 (E_RNA)
where:
Base-Base interactions energy: -72.674
where: short stacking energy: -65.603
Base-Backbone interact. energy: 2.279
local terms energy: -159.260832
where:
bonds (distance) C4'-P energy: -49.948
bonds (distance) P-C4' energy: -51.144
flat angles C4'-P-C4' energy: -34.363
flat angles P-C4'-P energy: -26.239
tors. eta vs tors. theta energy: 2.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -906.336996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.336996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.336996 (E_RNA)
where:
Base-Base interactions energy: -626.891
where: short stacking energy: -290.010
Base-Backbone interact. energy: -0.352
local terms energy: -279.093491
where:
bonds (distance) C4'-P energy: -41.840
bonds (distance) P-C4' energy: -48.371
flat angles C4'-P-C4' energy: -60.775
flat angles P-C4'-P energy: -47.802
tors. eta vs tors. theta energy: -80.306
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: 3
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -852.350237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.350237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.350237 (E_RNA)
where:
Base-Base interactions energy: -577.152
where: short stacking energy: -247.045
Base-Backbone interact. energy: 0.509
local terms energy: -275.707365
where:
bonds (distance) C4'-P energy: -56.929
bonds (distance) P-C4' energy: -51.529
flat angles C4'-P-C4' energy: -59.035
flat angles P-C4'-P energy: -37.056
tors. eta vs tors. theta energy: -71.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -853.339970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.339970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.339970 (E_RNA)
where:
Base-Base interactions energy: -586.966
where: short stacking energy: -250.786
Base-Backbone interact. energy: -2.310
local terms energy: -264.063786
where:
bonds (distance) C4'-P energy: -53.755
bonds (distance) P-C4' energy: -46.097
flat angles C4'-P-C4' energy: -57.322
flat angles P-C4'-P energy: -32.543
tors. eta vs tors. theta energy: -74.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -790.061447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.061447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.061447 (E_RNA)
where:
Base-Base interactions energy: -533.558
where: short stacking energy: -216.735
Base-Backbone interact. energy: -1.332
local terms energy: -255.171993
where:
bonds (distance) C4'-P energy: -53.028
bonds (distance) P-C4' energy: -51.922
flat angles C4'-P-C4' energy: -57.002
flat angles P-C4'-P energy: -39.237
tors. eta vs tors. theta energy: -53.984
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: 461
Temperature: 1.100000
Total energy: -725.080506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.080506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.080506 (E_RNA)
where:
Base-Base interactions energy: -494.755
where: short stacking energy: -211.693
Base-Backbone interact. energy: -0.595
local terms energy: -229.730136
where:
bonds (distance) C4'-P energy: -49.330
bonds (distance) P-C4' energy: -37.633
flat angles C4'-P-C4' energy: -56.354
flat angles P-C4'-P energy: -27.713
tors. eta vs tors. theta energy: -58.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -632.525507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.525507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.525507 (E_RNA)
where:
Base-Base interactions energy: -429.174
where: short stacking energy: -178.264
Base-Backbone interact. energy: -1.440
local terms energy: -201.911927
where:
bonds (distance) C4'-P energy: -39.961
bonds (distance) P-C4' energy: -51.670
flat angles C4'-P-C4' energy: -39.798
flat angles P-C4'-P energy: -32.374
tors. eta vs tors. theta energy: -38.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -581.461728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.461728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.461728 (E_RNA)
where:
Base-Base interactions energy: -369.100
where: short stacking energy: -168.875
Base-Backbone interact. energy: -2.092
local terms energy: -210.269121
where:
bonds (distance) C4'-P energy: -33.181
bonds (distance) P-C4' energy: -57.500
flat angles C4'-P-C4' energy: -50.120
flat angles P-C4'-P energy: -31.006
tors. eta vs tors. theta energy: -38.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -417.341617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.341617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.341617 (E_RNA)
where:
Base-Base interactions energy: -244.386
where: short stacking energy: -122.897
Base-Backbone interact. energy: -0.656
local terms energy: -172.299866
where:
bonds (distance) C4'-P energy: -41.169
bonds (distance) P-C4' energy: -49.367
flat angles C4'-P-C4' energy: -39.905
flat angles P-C4'-P energy: -26.616
tors. eta vs tors. theta energy: -15.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -528.956698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.956698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.956698 (E_RNA)
where:
Base-Base interactions energy: -337.816
where: short stacking energy: -153.752
Base-Backbone interact. energy: -1.944
local terms energy: -189.196424
where:
bonds (distance) C4'-P energy: -38.637
bonds (distance) P-C4' energy: -46.302
flat angles C4'-P-C4' energy: -40.751
flat angles P-C4'-P energy: -29.466
tors. eta vs tors. theta energy: -34.040
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: 10, replica: 10
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -231.846510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.846510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.846510 (E_RNA)
where:
Base-Base interactions energy: -76.308
where: short stacking energy: -66.567
Base-Backbone interact. energy: 1.084
local terms energy: -156.622772
where:
bonds (distance) C4'-P energy: -48.582
bonds (distance) P-C4' energy: -46.018
flat angles C4'-P-C4' energy: -36.407
flat angles P-C4'-P energy: -31.696
tors. eta vs tors. theta energy: 6.080
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: 2
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -906.389029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.389029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.389029 (E_RNA)
where:
Base-Base interactions energy: -604.185
where: short stacking energy: -269.477
Base-Backbone interact. energy: -0.061
local terms energy: -302.143162
where:
bonds (distance) C4'-P energy: -57.619
bonds (distance) P-C4' energy: -57.213
flat angles C4'-P-C4' energy: -62.314
flat angles P-C4'-P energy: -42.818
tors. eta vs tors. theta energy: -82.179
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: 2, replica: 3
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -868.587419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.587419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.587419 (E_RNA)
where:
Base-Base interactions energy: -598.181
where: short stacking energy: -250.975
Base-Backbone interact. energy: 1.556
local terms energy: -271.962615
where:
bonds (distance) C4'-P energy: -52.638
bonds (distance) P-C4' energy: -59.305
flat angles C4'-P-C4' energy: -50.832
flat angles P-C4'-P energy: -39.931
tors. eta vs tors. theta energy: -69.256
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: 5
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -888.407764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.407764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.407764 (E_RNA)
where:
Base-Base interactions energy: -593.437
where: short stacking energy: -273.480
Base-Backbone interact. energy: -0.890
local terms energy: -294.080135
where:
bonds (distance) C4'-P energy: -52.879
bonds (distance) P-C4' energy: -53.418
flat angles C4'-P-C4' energy: -61.183
flat angles P-C4'-P energy: -46.200
tors. eta vs tors. theta energy: -80.400
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: 6
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -786.708283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.708283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.708283 (E_RNA)
where:
Base-Base interactions energy: -539.901
where: short stacking energy: -229.675
Base-Backbone interact. energy: -0.337
local terms energy: -246.470705
where:
bonds (distance) C4'-P energy: -38.857
bonds (distance) P-C4' energy: -48.197
flat angles C4'-P-C4' energy: -59.691
flat angles P-C4'-P energy: -37.736
tors. eta vs tors. theta energy: -61.990
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: 462
Temperature: 1.100000
Total energy: -718.903919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.903919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.903919 (E_RNA)
where:
Base-Base interactions energy: -484.978
where: short stacking energy: -208.474
Base-Backbone interact. energy: -1.346
local terms energy: -232.580449
where:
bonds (distance) C4'-P energy: -45.728
bonds (distance) P-C4' energy: -39.034
flat angles C4'-P-C4' energy: -55.178
flat angles P-C4'-P energy: -38.469
tors. eta vs tors. theta energy: -54.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -620.469202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.469202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.469202 (E_RNA)
where:
Base-Base interactions energy: -404.892
where: short stacking energy: -181.847
Base-Backbone interact. energy: -0.090
local terms energy: -215.487237
where:
bonds (distance) C4'-P energy: -48.337
bonds (distance) P-C4' energy: -52.021
flat angles C4'-P-C4' energy: -46.269
flat angles P-C4'-P energy: -29.909
tors. eta vs tors. theta energy: -38.951
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: 7, replica: 8
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -586.807742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.807742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.807742 (E_RNA)
where:
Base-Base interactions energy: -379.805
where: short stacking energy: -188.985
Base-Backbone interact. energy: 2.435
local terms energy: -209.437223
where:
bonds (distance) C4'-P energy: -52.298
bonds (distance) P-C4' energy: -41.751
flat angles C4'-P-C4' energy: -36.268
flat angles P-C4'-P energy: -39.387
tors. eta vs tors. theta energy: -39.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -434.876066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.876066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.876066 (E_RNA)
where:
Base-Base interactions energy: -240.337
where: short stacking energy: -132.112
Base-Backbone interact. energy: -2.151
local terms energy: -192.388130
where:
bonds (distance) C4'-P energy: -41.544
bonds (distance) P-C4' energy: -47.153
flat angles C4'-P-C4' energy: -46.993
flat angles P-C4'-P energy: -29.966
tors. eta vs tors. theta energy: -26.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -515.243461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.243461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.243461 (E_RNA)
where:
Base-Base interactions energy: -318.383
where: short stacking energy: -132.136
Base-Backbone interact. energy: -0.647
local terms energy: -196.214244
where:
bonds (distance) C4'-P energy: -42.378
bonds (distance) P-C4' energy: -40.838
flat angles C4'-P-C4' energy: -55.721
flat angles P-C4'-P energy: -27.818
tors. eta vs tors. theta energy: -29.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -238.017224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.017224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.017224 (E_RNA)
where:
Base-Base interactions energy: -82.480
where: short stacking energy: -51.753
Base-Backbone interact. energy: 2.476
local terms energy: -158.012714
where:
bonds (distance) C4'-P energy: -42.378
bonds (distance) P-C4' energy: -50.789
flat angles C4'-P-C4' energy: -47.382
flat angles P-C4'-P energy: -25.715
tors. eta vs tors. theta energy: 8.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -911.016253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.016253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.016253 (E_RNA)
where:
Base-Base interactions energy: -623.235
where: short stacking energy: -276.994
Base-Backbone interact. energy: -0.754
local terms energy: -287.028160
where:
bonds (distance) C4'-P energy: -57.537
bonds (distance) P-C4' energy: -55.160
flat angles C4'-P-C4' energy: -56.276
flat angles P-C4'-P energy: -35.534
tors. eta vs tors. theta energy: -82.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -893.438763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.438763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.438763 (E_RNA)
where:
Base-Base interactions energy: -597.345
where: short stacking energy: -266.984
Base-Backbone interact. energy: -0.620
local terms energy: -295.473308
where:
bonds (distance) C4'-P energy: -56.384
bonds (distance) P-C4' energy: -59.310
flat angles C4'-P-C4' energy: -61.622
flat angles P-C4'-P energy: -46.437
tors. eta vs tors. theta energy: -71.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -844.745068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.745068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.745068 (E_RNA)
where:
Base-Base interactions energy: -596.537
where: short stacking energy: -273.693
Base-Backbone interact. energy: 4.651
local terms energy: -252.858719
where:
bonds (distance) C4'-P energy: -48.246
bonds (distance) P-C4' energy: -41.819
flat angles C4'-P-C4' energy: -56.781
flat angles P-C4'-P energy: -36.168
tors. eta vs tors. theta energy: -69.844
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: 6
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -783.421934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.421934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.421934 (E_RNA)
where:
Base-Base interactions energy: -534.684
where: short stacking energy: -223.471
Base-Backbone interact. energy: -0.629
local terms energy: -248.109726
where:
bonds (distance) C4'-P energy: -41.183
bonds (distance) P-C4' energy: -48.944
flat angles C4'-P-C4' energy: -56.442
flat angles P-C4'-P energy: -36.065
tors. eta vs tors. theta energy: -65.475
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: 4
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -721.592302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.592302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.592302 (E_RNA)
where:
Base-Base interactions energy: -471.331
where: short stacking energy: -227.298
Base-Backbone interact. energy: -1.359
local terms energy: -248.901753
where:
bonds (distance) C4'-P energy: -46.351
bonds (distance) P-C4' energy: -48.412
flat angles C4'-P-C4' energy: -54.190
flat angles P-C4'-P energy: -38.086
tors. eta vs tors. theta energy: -61.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -646.426740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.426740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.426740 (E_RNA)
where:
Base-Base interactions energy: -434.081
where: short stacking energy: -171.744
Base-Backbone interact. energy: -2.034
local terms energy: -210.311262
where:
bonds (distance) C4'-P energy: -58.126
bonds (distance) P-C4' energy: -43.491
flat angles C4'-P-C4' energy: -35.789
flat angles P-C4'-P energy: -33.505
tors. eta vs tors. theta energy: -39.400
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: 8
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -607.680627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.680627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.680627 (E_RNA)
where:
Base-Base interactions energy: -389.376
where: short stacking energy: -179.390
Base-Backbone interact. energy: -0.682
local terms energy: -217.623373
where:
bonds (distance) C4'-P energy: -49.395
bonds (distance) P-C4' energy: -43.864
flat angles C4'-P-C4' energy: -55.491
flat angles P-C4'-P energy: -26.368
tors. eta vs tors. theta energy: -42.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -576.854324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.854324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.854324 (E_RNA)
where:
Base-Base interactions energy: -377.260
where: short stacking energy: -191.816
Base-Backbone interact. energy: 0.278
local terms energy: -199.872583
where:
bonds (distance) C4'-P energy: -36.693
bonds (distance) P-C4' energy: -43.139
flat angles C4'-P-C4' energy: -46.195
flat angles P-C4'-P energy: -30.647
tors. eta vs tors. theta energy: -43.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -464.543722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.543722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.543722 (E_RNA)
where:
Base-Base interactions energy: -289.564
where: short stacking energy: -151.284
Base-Backbone interact. energy: -0.709
local terms energy: -174.271381
where:
bonds (distance) C4'-P energy: -30.816
bonds (distance) P-C4' energy: -45.223
flat angles C4'-P-C4' energy: -38.087
flat angles P-C4'-P energy: -30.117
tors. eta vs tors. theta energy: -30.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -235.749855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.749855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.749855 (E_RNA)
where:
Base-Base interactions energy: -81.353
where: short stacking energy: -74.462
Base-Backbone interact. energy: 2.908
local terms energy: -157.305242
where:
bonds (distance) C4'-P energy: -52.897
bonds (distance) P-C4' energy: -42.107
flat angles C4'-P-C4' energy: -40.621
flat angles P-C4'-P energy: -20.717
tors. eta vs tors. theta energy: -0.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -911.829240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.829240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.829240 (E_RNA)
where:
Base-Base interactions energy: -616.759
where: short stacking energy: -274.979
Base-Backbone interact. energy: -0.590
local terms energy: -294.480997
where:
bonds (distance) C4'-P energy: -55.288
bonds (distance) P-C4' energy: -52.422
flat angles C4'-P-C4' energy: -57.705
flat angles P-C4'-P energy: -46.217
tors. eta vs tors. theta energy: -82.848
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: 5
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -875.188725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.188725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.188725 (E_RNA)
where:
Base-Base interactions energy: -601.073
where: short stacking energy: -251.713
Base-Backbone interact. energy: 0.013
local terms energy: -274.127999
where:
bonds (distance) C4'-P energy: -47.437
bonds (distance) P-C4' energy: -57.867
flat angles C4'-P-C4' energy: -58.789
flat angles P-C4'-P energy: -42.551
tors. eta vs tors. theta energy: -67.484
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: 3
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -878.949734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.949734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.949734 (E_RNA)
where:
Base-Base interactions energy: -615.017
where: short stacking energy: -265.883
Base-Backbone interact. energy: -0.823
local terms energy: -263.109200
where:
bonds (distance) C4'-P energy: -47.418
bonds (distance) P-C4' energy: -44.388
flat angles C4'-P-C4' energy: -61.589
flat angles P-C4'-P energy: -35.831
tors. eta vs tors. theta energy: -73.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -782.246820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.246820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.246820 (E_RNA)
where:
Base-Base interactions energy: -540.455
where: short stacking energy: -227.137
Base-Backbone interact. energy: -0.889
local terms energy: -240.903383
where:
bonds (distance) C4'-P energy: -47.010
bonds (distance) P-C4' energy: -50.671
flat angles C4'-P-C4' energy: -51.990
flat angles P-C4'-P energy: -32.218
tors. eta vs tors. theta energy: -59.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -714.320598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.320598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.320598 (E_RNA)
where:
Base-Base interactions energy: -475.541
where: short stacking energy: -218.683
Base-Backbone interact. energy: -0.211
local terms energy: -238.568644
where:
bonds (distance) C4'-P energy: -44.791
bonds (distance) P-C4' energy: -50.020
flat angles C4'-P-C4' energy: -47.509
flat angles P-C4'-P energy: -34.544
tors. eta vs tors. theta energy: -61.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -643.012693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.012693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.012693 (E_RNA)
where:
Base-Base interactions energy: -430.995
where: short stacking energy: -190.608
Base-Backbone interact. energy: 0.541
local terms energy: -212.558558
where:
bonds (distance) C4'-P energy: -48.335
bonds (distance) P-C4' energy: -49.360
flat angles C4'-P-C4' energy: -43.365
flat angles P-C4'-P energy: -27.392
tors. eta vs tors. theta energy: -44.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -599.090209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.090209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.090209 (E_RNA)
where:
Base-Base interactions energy: -385.792
where: short stacking energy: -174.878
Base-Backbone interact. energy: -1.085
local terms energy: -212.212503
where:
bonds (distance) C4'-P energy: -40.229
bonds (distance) P-C4' energy: -52.484
flat angles C4'-P-C4' energy: -53.211
flat angles P-C4'-P energy: -23.143
tors. eta vs tors. theta energy: -43.145
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: 8
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -573.021842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.021842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.021842 (E_RNA)
where:
Base-Base interactions energy: -380.928
where: short stacking energy: -170.587
Base-Backbone interact. energy: 6.953
local terms energy: -199.046269
where:
bonds (distance) C4'-P energy: -30.596
bonds (distance) P-C4' energy: -46.614
flat angles C4'-P-C4' energy: -51.994
flat angles P-C4'-P energy: -26.841
tors. eta vs tors. theta energy: -43.002
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: 9, replica: 9
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -435.363527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.363527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.363527 (E_RNA)
where:
Base-Base interactions energy: -247.425
where: short stacking energy: -100.785
Base-Backbone interact. energy: -0.124
local terms energy: -187.815025
where:
bonds (distance) C4'-P energy: -55.875
bonds (distance) P-C4' energy: -46.023
flat angles C4'-P-C4' energy: -40.332
flat angles P-C4'-P energy: -37.019
tors. eta vs tors. theta energy: -8.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -241.374903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.374903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.374903 (E_RNA)
where:
Base-Base interactions energy: -101.857
where: short stacking energy: -83.157
Base-Backbone interact. energy: -0.936
local terms energy: -138.581321
where:
bonds (distance) C4'-P energy: -46.182
bonds (distance) P-C4' energy: -38.660
flat angles C4'-P-C4' energy: -42.022
flat angles P-C4'-P energy: -13.310
tors. eta vs tors. theta energy: 1.592
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: 1, replica: 2
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -909.337751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.337751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.337751 (E_RNA)
where:
Base-Base interactions energy: -618.166
where: short stacking energy: -276.399
Base-Backbone interact. energy: -1.080
local terms energy: -290.091085
where:
bonds (distance) C4'-P energy: -54.477
bonds (distance) P-C4' energy: -53.383
flat angles C4'-P-C4' energy: -59.429
flat angles P-C4'-P energy: -43.063
tors. eta vs tors. theta energy: -79.740
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: 2, replica: 3
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -892.115311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.115311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.115311 (E_RNA)
where:
Base-Base interactions energy: -620.540
where: short stacking energy: -261.450
Base-Backbone interact. energy: -2.397
local terms energy: -269.178645
where:
bonds (distance) C4'-P energy: -50.530
bonds (distance) P-C4' energy: -50.846
flat angles C4'-P-C4' energy: -58.327
flat angles P-C4'-P energy: -36.693
tors. eta vs tors. theta energy: -72.783
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: 5
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -852.746095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.746095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.746095 (E_RNA)
where:
Base-Base interactions energy: -581.392
where: short stacking energy: -264.407
Base-Backbone interact. energy: -0.002
local terms energy: -271.351497
where:
bonds (distance) C4'-P energy: -45.607
bonds (distance) P-C4' energy: -51.677
flat angles C4'-P-C4' energy: -60.984
flat angles P-C4'-P energy: -38.152
tors. eta vs tors. theta energy: -74.933
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: 4
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -727.162216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.162216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.162216 (E_RNA)
where:
Base-Base interactions energy: -481.239
where: short stacking energy: -211.092
Base-Backbone interact. energy: -1.214
local terms energy: -244.708822
where:
bonds (distance) C4'-P energy: -48.546
bonds (distance) P-C4' energy: -51.642
flat angles C4'-P-C4' energy: -52.842
flat angles P-C4'-P energy: -41.213
tors. eta vs tors. theta energy: -50.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -766.752867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.752867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.752867 (E_RNA)
where:
Base-Base interactions energy: -523.302
where: short stacking energy: -221.130
Base-Backbone interact. energy: -0.517
local terms energy: -242.934370
where:
bonds (distance) C4'-P energy: -50.844
bonds (distance) P-C4' energy: -52.964
flat angles C4'-P-C4' energy: -49.903
flat angles P-C4'-P energy: -28.264
tors. eta vs tors. theta energy: -60.960
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: 7
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -615.841318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.841318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.841318 (E_RNA)
where:
Base-Base interactions energy: -413.533
where: short stacking energy: -162.477
Base-Backbone interact. energy: -0.690
local terms energy: -201.618324
where:
bonds (distance) C4'-P energy: -41.076
bonds (distance) P-C4' energy: -52.768
flat angles C4'-P-C4' energy: -48.240
flat angles P-C4'-P energy: -32.885
tors. eta vs tors. theta energy: -26.649
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: 1
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -636.168372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.168372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.168372 (E_RNA)
where:
Base-Base interactions energy: -432.411
where: short stacking energy: -207.078
Base-Backbone interact. energy: -2.195
local terms energy: -201.561504
where:
bonds (distance) C4'-P energy: -51.291
bonds (distance) P-C4' energy: -37.905
flat angles C4'-P-C4' energy: -49.440
flat angles P-C4'-P energy: -17.261
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: 8, replica: 8
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -561.152795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.152795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.152795 (E_RNA)
where:
Base-Base interactions energy: -354.232
where: short stacking energy: -143.703
Base-Backbone interact. energy: -0.640
local terms energy: -206.280527
where:
bonds (distance) C4'-P energy: -42.691
bonds (distance) P-C4' energy: -45.997
flat angles C4'-P-C4' energy: -45.397
flat angles P-C4'-P energy: -35.329
tors. eta vs tors. theta energy: -36.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -441.946139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.946139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.946139 (E_RNA)
where:
Base-Base interactions energy: -271.834
where: short stacking energy: -144.469
Base-Backbone interact. energy: 0.087
local terms energy: -170.199140
where:
bonds (distance) C4'-P energy: -47.289
bonds (distance) P-C4' energy: -39.452
flat angles C4'-P-C4' energy: -31.073
flat angles P-C4'-P energy: -29.425
tors. eta vs tors. theta energy: -22.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -254.470071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.470071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.470071 (E_RNA)
where:
Base-Base interactions energy: -95.536
where: short stacking energy: -51.756
Base-Backbone interact. energy: 1.022
local terms energy: -159.956349
where:
bonds (distance) C4'-P energy: -48.742
bonds (distance) P-C4' energy: -48.028
flat angles C4'-P-C4' energy: -43.846
flat angles P-C4'-P energy: -30.044
tors. eta vs tors. theta energy: 10.705
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: 3
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -894.113236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.113236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.113236 (E_RNA)
where:
Base-Base interactions energy: -611.806
where: short stacking energy: -267.248
Base-Backbone interact. energy: -1.355
local terms energy: -280.952788
where:
bonds (distance) C4'-P energy: -55.368
bonds (distance) P-C4' energy: -49.855
flat angles C4'-P-C4' energy: -61.425
flat angles P-C4'-P energy: -42.623
tors. eta vs tors. theta energy: -71.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -889.771794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.771794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.771794 (E_RNA)
where:
Base-Base interactions energy: -592.493
where: short stacking energy: -275.357
Base-Backbone interact. energy: 0.026
local terms energy: -297.304234
where:
bonds (distance) C4'-P energy: -53.605
bonds (distance) P-C4' energy: -52.667
flat angles C4'-P-C4' energy: -64.154
flat angles P-C4'-P energy: -46.566
tors. eta vs tors. theta energy: -80.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -838.772143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.772143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.772143 (E_RNA)
where:
Base-Base interactions energy: -566.849
where: short stacking energy: -251.225
Base-Backbone interact. energy: -2.326
local terms energy: -269.597323
where:
bonds (distance) C4'-P energy: -49.466
bonds (distance) P-C4' energy: -60.481
flat angles C4'-P-C4' energy: -53.400
flat angles P-C4'-P energy: -38.119
tors. eta vs tors. theta energy: -68.132
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: 4, replica: 4
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -730.780054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.780054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.780054 (E_RNA)
where:
Base-Base interactions energy: -489.988
where: short stacking energy: -229.513
Base-Backbone interact. energy: -0.720
local terms energy: -240.072191
where:
bonds (distance) C4'-P energy: -42.527
bonds (distance) P-C4' energy: -48.335
flat angles C4'-P-C4' energy: -56.009
flat angles P-C4'-P energy: -35.786
tors. eta vs tors. theta energy: -57.415
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: 5, replica: 6
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -788.977797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.977797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.977797 (E_RNA)
where:
Base-Base interactions energy: -527.778
where: short stacking energy: -231.457
Base-Backbone interact. energy: -0.372
local terms energy: -260.827453
where:
bonds (distance) C4'-P energy: -52.464
bonds (distance) P-C4' energy: -51.635
flat angles C4'-P-C4' energy: -63.659
flat angles P-C4'-P energy: -33.882
tors. eta vs tors. theta energy: -59.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -653.385049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.385049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.385049 (E_RNA)
where:
Base-Base interactions energy: -424.872
where: short stacking energy: -191.636
Base-Backbone interact. energy: -0.282
local terms energy: -228.231483
where:
bonds (distance) C4'-P energy: -49.410
bonds (distance) P-C4' energy: -45.705
flat angles C4'-P-C4' energy: -54.088
flat angles P-C4'-P energy: -27.646
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: 7, replica: 1
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -628.034700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.034700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.034700 (E_RNA)
where:
Base-Base interactions energy: -412.332
where: short stacking energy: -191.118
Base-Backbone interact. energy: -1.204
local terms energy: -214.498868
where:
bonds (distance) C4'-P energy: -39.854
bonds (distance) P-C4' energy: -41.578
flat angles C4'-P-C4' energy: -53.021
flat angles P-C4'-P energy: -33.548
tors. eta vs tors. theta energy: -46.499
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: 8, replica: 8
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -546.983048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.983048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.983048 (E_RNA)
where:
Base-Base interactions energy: -356.820
where: short stacking energy: -143.569
Base-Backbone interact. energy: 5.472
local terms energy: -195.635551
where:
bonds (distance) C4'-P energy: -37.643
bonds (distance) P-C4' energy: -45.661
flat angles C4'-P-C4' energy: -48.425
flat angles P-C4'-P energy: -38.460
tors. eta vs tors. theta energy: -25.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -449.608027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.608027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.608027 (E_RNA)
where:
Base-Base interactions energy: -273.610
where: short stacking energy: -126.871
Base-Backbone interact. energy: -0.689
local terms energy: -175.309113
where:
bonds (distance) C4'-P energy: -32.126
bonds (distance) P-C4' energy: -43.723
flat angles C4'-P-C4' energy: -44.031
flat angles P-C4'-P energy: -33.279
tors. eta vs tors. theta energy: -22.150
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: 10
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -208.475966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.475966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.475966 (E_RNA)
where:
Base-Base interactions energy: -62.750
where: short stacking energy: -57.669
Base-Backbone interact. energy: 0.171
local terms energy: -145.897233
where:
bonds (distance) C4'-P energy: -43.925
bonds (distance) P-C4' energy: -42.253
flat angles C4'-P-C4' energy: -39.623
flat angles P-C4'-P energy: -29.220
tors. eta vs tors. theta energy: 9.124
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: 1, replica: 3
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -906.433612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.433612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.433612 (E_RNA)
where:
Base-Base interactions energy: -608.826
where: short stacking energy: -266.759
Base-Backbone interact. energy: -1.058
local terms energy: -296.549124
where:
bonds (distance) C4'-P energy: -55.333
bonds (distance) P-C4' energy: -54.667
flat angles C4'-P-C4' energy: -59.829
flat angles P-C4'-P energy: -47.198
tors. eta vs tors. theta energy: -79.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -891.996436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.996436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.996436 (E_RNA)
where:
Base-Base interactions energy: -610.436
where: short stacking energy: -285.781
Base-Backbone interact. energy: -0.051
local terms energy: -281.509578
where:
bonds (distance) C4'-P energy: -52.187
bonds (distance) P-C4' energy: -52.566
flat angles C4'-P-C4' energy: -61.108
flat angles P-C4'-P energy: -37.358
tors. eta vs tors. theta energy: -78.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -838.384714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.384714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.384714 (E_RNA)
where:
Base-Base interactions energy: -572.461
where: short stacking energy: -255.921
Base-Backbone interact. energy: -0.856
local terms energy: -265.068158
where:
bonds (distance) C4'-P energy: -53.641
bonds (distance) P-C4' energy: -40.074
flat angles C4'-P-C4' energy: -61.916
flat angles P-C4'-P energy: -35.868
tors. eta vs tors. theta energy: -73.569
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: 4
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -739.297563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.297563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.297563 (E_RNA)
where:
Base-Base interactions energy: -491.217
where: short stacking energy: -210.942
Base-Backbone interact. energy: -1.102
local terms energy: -246.978801
where:
bonds (distance) C4'-P energy: -42.734
bonds (distance) P-C4' energy: -58.917
flat angles C4'-P-C4' energy: -57.086
flat angles P-C4'-P energy: -36.603
tors. eta vs tors. theta energy: -51.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -753.131498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.131498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.131498 (E_RNA)
where:
Base-Base interactions energy: -525.138
where: short stacking energy: -214.204
Base-Backbone interact. energy: -0.722
local terms energy: -227.272063
where:
bonds (distance) C4'-P energy: -56.211
bonds (distance) P-C4' energy: -48.802
flat angles C4'-P-C4' energy: -49.135
flat angles P-C4'-P energy: -25.532
tors. eta vs tors. theta energy: -47.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -610.265619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.265619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.265619 (E_RNA)
where:
Base-Base interactions energy: -409.200
where: short stacking energy: -188.828
Base-Backbone interact. energy: -0.002
local terms energy: -201.064229
where:
bonds (distance) C4'-P energy: -46.844
bonds (distance) P-C4' energy: -40.271
flat angles C4'-P-C4' energy: -50.242
flat angles P-C4'-P energy: -24.665
tors. eta vs tors. theta energy: -39.041
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: 7
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -650.102207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.102207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.102207 (E_RNA)
where:
Base-Base interactions energy: -432.369
where: short stacking energy: -173.277
Base-Backbone interact. energy: -1.579
local terms energy: -216.153956
where:
bonds (distance) C4'-P energy: -45.041
bonds (distance) P-C4' energy: -48.758
flat angles C4'-P-C4' energy: -52.775
flat angles P-C4'-P energy: -25.105
tors. eta vs tors. theta energy: -44.474
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: 8, replica: 8
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -513.986945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.986945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.986945 (E_RNA)
where:
Base-Base interactions energy: -306.407
where: short stacking energy: -136.521
Base-Backbone interact. energy: -0.026
local terms energy: -207.553278
where:
bonds (distance) C4'-P energy: -51.867
bonds (distance) P-C4' energy: -51.125
flat angles C4'-P-C4' energy: -41.627
flat angles P-C4'-P energy: -32.545
tors. eta vs tors. theta energy: -30.389
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: 9
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -432.396574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.396574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.396574 (E_RNA)
where:
Base-Base interactions energy: -257.746
where: short stacking energy: -119.225
Base-Backbone interact. energy: -0.659
local terms energy: -173.991139
where:
bonds (distance) C4'-P energy: -38.498
bonds (distance) P-C4' energy: -49.528
flat angles C4'-P-C4' energy: -39.915
flat angles P-C4'-P energy: -29.152
tors. eta vs tors. theta energy: -16.898
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: 10
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -262.841185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.841185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.841185 (E_RNA)
where:
Base-Base interactions energy: -123.864
where: short stacking energy: -73.541
Base-Backbone interact. energy: -0.313
local terms energy: -138.664669
where:
bonds (distance) C4'-P energy: -47.980
bonds (distance) P-C4' energy: -33.583
flat angles C4'-P-C4' energy: -36.135
flat angles P-C4'-P energy: -17.949
tors. eta vs tors. theta energy: -3.018
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: 468
Temperature: 0.900000
Total energy: -906.207068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.207068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.207068 (E_RNA)
where:
Base-Base interactions energy: -614.612
where: short stacking energy: -276.240
Base-Backbone interact. energy: -0.033
local terms energy: -291.561744
where:
bonds (distance) C4'-P energy: -51.710
bonds (distance) P-C4' energy: -59.915
flat angles C4'-P-C4' energy: -57.638
flat angles P-C4'-P energy: -41.135
tors. eta vs tors. theta energy: -81.163
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: 3
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -913.202791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.202791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.202791 (E_RNA)
where:
Base-Base interactions energy: -638.391
where: short stacking energy: -270.032
Base-Backbone interact. energy: -0.452
local terms energy: -274.358940
where:
bonds (distance) C4'-P energy: -52.785
bonds (distance) P-C4' energy: -52.006
flat angles C4'-P-C4' energy: -53.638
flat angles P-C4'-P energy: -40.874
tors. eta vs tors. theta energy: -75.056
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: 468
Temperature: 1.000000
Total energy: -848.594960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.594960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.594960 (E_RNA)
where:
Base-Base interactions energy: -576.499
where: short stacking energy: -262.901
Base-Backbone interact. energy: -0.095
local terms energy: -272.000652
where:
bonds (distance) C4'-P energy: -41.545
bonds (distance) P-C4' energy: -52.902
flat angles C4'-P-C4' energy: -64.324
flat angles P-C4'-P energy: -35.834
tors. eta vs tors. theta energy: -77.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -749.645255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.645255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.645255 (E_RNA)
where:
Base-Base interactions energy: -498.768
where: short stacking energy: -233.943
Base-Backbone interact. energy: -1.634
local terms energy: -249.243610
where:
bonds (distance) C4'-P energy: -39.417
bonds (distance) P-C4' energy: -54.643
flat angles C4'-P-C4' energy: -57.920
flat angles P-C4'-P energy: -35.164
tors. eta vs tors. theta energy: -62.100
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: 6
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -763.549733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.549733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.549733 (E_RNA)
where:
Base-Base interactions energy: -519.253
where: short stacking energy: -225.702
Base-Backbone interact. energy: -0.794
local terms energy: -243.503163
where:
bonds (distance) C4'-P energy: -44.596
bonds (distance) P-C4' energy: -43.484
flat angles C4'-P-C4' energy: -56.553
flat angles P-C4'-P energy: -33.795
tors. eta vs tors. theta energy: -65.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -652.537087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.537087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.537087 (E_RNA)
where:
Base-Base interactions energy: -419.913
where: short stacking energy: -198.866
Base-Backbone interact. energy: 1.599
local terms energy: -234.223332
where:
bonds (distance) C4'-P energy: -51.096
bonds (distance) P-C4' energy: -48.713
flat angles C4'-P-C4' energy: -50.081
flat angles P-C4'-P energy: -38.769
tors. eta vs tors. theta energy: -45.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -639.866337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.866337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.866337 (E_RNA)
where:
Base-Base interactions energy: -428.162
where: short stacking energy: -189.462
Base-Backbone interact. energy: -0.361
local terms energy: -211.343865
where:
bonds (distance) C4'-P energy: -40.733
bonds (distance) P-C4' energy: -42.663
flat angles C4'-P-C4' energy: -52.607
flat angles P-C4'-P energy: -31.249
tors. eta vs tors. theta energy: -44.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -552.550103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.550103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.550103 (E_RNA)
where:
Base-Base interactions energy: -356.658
where: short stacking energy: -153.009
Base-Backbone interact. energy: -1.780
local terms energy: -194.112243
where:
bonds (distance) C4'-P energy: -48.869
bonds (distance) P-C4' energy: -53.484
flat angles C4'-P-C4' energy: -37.325
flat angles P-C4'-P energy: -21.578
tors. eta vs tors. theta energy: -32.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -459.975797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.975797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.975797 (E_RNA)
where:
Base-Base interactions energy: -268.586
where: short stacking energy: -131.133
Base-Backbone interact. energy: 0.731
local terms energy: -192.120613
where:
bonds (distance) C4'-P energy: -39.148
bonds (distance) P-C4' energy: -51.170
flat angles C4'-P-C4' energy: -43.587
flat angles P-C4'-P energy: -33.182
tors. eta vs tors. theta energy: -25.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -247.025643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.025643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.025643 (E_RNA)
where:
Base-Base interactions energy: -102.975
where: short stacking energy: -64.879
Base-Backbone interact. energy: -0.809
local terms energy: -143.241760
where:
bonds (distance) C4'-P energy: -50.236
bonds (distance) P-C4' energy: -58.102
flat angles C4'-P-C4' energy: -37.416
flat angles P-C4'-P energy: -5.392
tors. eta vs tors. theta energy: 7.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -891.919540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.919540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.919540 (E_RNA)
where:
Base-Base interactions energy: -608.272
where: short stacking energy: -279.740
Base-Backbone interact. energy: -2.478
local terms energy: -281.169255
where:
bonds (distance) C4'-P energy: -43.335
bonds (distance) P-C4' energy: -55.405
flat angles C4'-P-C4' energy: -58.031
flat angles P-C4'-P energy: -37.664
tors. eta vs tors. theta energy: -86.734
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: 3
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -886.966818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.966818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.966818 (E_RNA)
where:
Base-Base interactions energy: -608.687
where: short stacking energy: -266.604
Base-Backbone interact. energy: -0.449
local terms energy: -277.830931
where:
bonds (distance) C4'-P energy: -50.902
bonds (distance) P-C4' energy: -60.477
flat angles C4'-P-C4' energy: -59.415
flat angles P-C4'-P energy: -38.531
tors. eta vs tors. theta energy: -68.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -831.940020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.940020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.940020 (E_RNA)
where:
Base-Base interactions energy: -567.777
where: short stacking energy: -246.971
Base-Backbone interact. energy: -1.011
local terms energy: -263.152909
where:
bonds (distance) C4'-P energy: -40.770
bonds (distance) P-C4' energy: -50.658
flat angles C4'-P-C4' energy: -60.072
flat angles P-C4'-P energy: -41.974
tors. eta vs tors. theta energy: -69.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -752.160617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.160617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.160617 (E_RNA)
where:
Base-Base interactions energy: -510.022
where: short stacking energy: -210.402
Base-Backbone interact. energy: 2.024
local terms energy: -244.162239
where:
bonds (distance) C4'-P energy: -53.930
bonds (distance) P-C4' energy: -52.307
flat angles C4'-P-C4' energy: -49.793
flat angles P-C4'-P energy: -36.732
tors. eta vs tors. theta energy: -51.401
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: 6
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -795.539209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.539209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.539209 (E_RNA)
where:
Base-Base interactions energy: -544.276
where: short stacking energy: -234.431
Base-Backbone interact. energy: -0.763
local terms energy: -250.499612
where:
bonds (distance) C4'-P energy: -43.958
bonds (distance) P-C4' energy: -44.299
flat angles C4'-P-C4' energy: -64.341
flat angles P-C4'-P energy: -35.631
tors. eta vs tors. theta energy: -62.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -649.895750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.895750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.895750 (E_RNA)
where:
Base-Base interactions energy: -429.109
where: short stacking energy: -179.477
Base-Backbone interact. energy: -0.079
local terms energy: -220.707577
where:
bonds (distance) C4'-P energy: -37.232
bonds (distance) P-C4' energy: -56.952
flat angles C4'-P-C4' energy: -44.777
flat angles P-C4'-P energy: -35.944
tors. eta vs tors. theta energy: -45.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -605.462495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.462495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.462495 (E_RNA)
where:
Base-Base interactions energy: -396.856
where: short stacking energy: -170.700
Base-Backbone interact. energy: 1.268
local terms energy: -209.874089
where:
bonds (distance) C4'-P energy: -50.420
bonds (distance) P-C4' energy: -30.703
flat angles C4'-P-C4' energy: -49.958
flat angles P-C4'-P energy: -38.584
tors. eta vs tors. theta energy: -40.208
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: 8, replica: 8
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -572.302534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.302534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.302534 (E_RNA)
where:
Base-Base interactions energy: -363.265
where: short stacking energy: -149.816
Base-Backbone interact. energy: -1.654
local terms energy: -207.383582
where:
bonds (distance) C4'-P energy: -41.196
bonds (distance) P-C4' energy: -43.505
flat angles C4'-P-C4' energy: -50.531
flat angles P-C4'-P energy: -38.031
tors. eta vs tors. theta energy: -34.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -449.493986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.493986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.493986 (E_RNA)
where:
Base-Base interactions energy: -250.420
where: short stacking energy: -117.959
Base-Backbone interact. energy: 1.249
local terms energy: -200.322301
where:
bonds (distance) C4'-P energy: -48.599
bonds (distance) P-C4' energy: -53.672
flat angles C4'-P-C4' energy: -45.919
flat angles P-C4'-P energy: -33.607
tors. eta vs tors. theta energy: -18.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -216.207523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.207523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.207523 (E_RNA)
where:
Base-Base interactions energy: -56.975
where: short stacking energy: -53.791
Base-Backbone interact. energy: 1.854
local terms energy: -161.086357
where:
bonds (distance) C4'-P energy: -53.461
bonds (distance) P-C4' energy: -47.178
flat angles C4'-P-C4' energy: -34.266
flat angles P-C4'-P energy: -31.366
tors. eta vs tors. theta energy: 5.185
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: 2
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -906.386159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.386159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.386159 (E_RNA)
where:
Base-Base interactions energy: -607.340
where: short stacking energy: -279.850
Base-Backbone interact. energy: 0.297
local terms energy: -299.343828
where:
bonds (distance) C4'-P energy: -56.670
bonds (distance) P-C4' energy: -55.189
flat angles C4'-P-C4' energy: -68.440
flat angles P-C4'-P energy: -38.721
tors. eta vs tors. theta energy: -80.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -897.066748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.066748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.066748 (E_RNA)
where:
Base-Base interactions energy: -640.004
where: short stacking energy: -284.960
Base-Backbone interact. energy: 0.136
local terms energy: -257.198857
where:
bonds (distance) C4'-P energy: -50.720
bonds (distance) P-C4' energy: -52.025
flat angles C4'-P-C4' energy: -56.970
flat angles P-C4'-P energy: -29.352
tors. eta vs tors. theta energy: -68.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -855.737518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.737518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.737518 (E_RNA)
where:
Base-Base interactions energy: -580.959
where: short stacking energy: -260.445
Base-Backbone interact. energy: -2.051
local terms energy: -272.727732
where:
bonds (distance) C4'-P energy: -52.683
bonds (distance) P-C4' energy: -49.082
flat angles C4'-P-C4' energy: -55.394
flat angles P-C4'-P energy: -41.589
tors. eta vs tors. theta energy: -73.980
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: 4, replica: 4
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -727.789512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.789512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.789512 (E_RNA)
where:
Base-Base interactions energy: -490.887
where: short stacking energy: -206.692
Base-Backbone interact. energy: -1.113
local terms energy: -235.790327
where:
bonds (distance) C4'-P energy: -52.997
bonds (distance) P-C4' energy: -46.946
flat angles C4'-P-C4' energy: -57.896
flat angles P-C4'-P energy: -33.499
tors. eta vs tors. theta energy: -44.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -685.630128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.630128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.630128 (E_RNA)
where:
Base-Base interactions energy: -465.910
where: short stacking energy: -195.443
Base-Backbone interact. energy: 0.405
local terms energy: -220.125734
where:
bonds (distance) C4'-P energy: -35.405
bonds (distance) P-C4' energy: -49.339
flat angles C4'-P-C4' energy: -53.982
flat angles P-C4'-P energy: -34.474
tors. eta vs tors. theta energy: -46.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -752.875156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.875156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.875156 (E_RNA)
where:
Base-Base interactions energy: -509.226
where: short stacking energy: -225.871
Base-Backbone interact. energy: -2.183
local terms energy: -241.466238
where:
bonds (distance) C4'-P energy: -40.818
bonds (distance) P-C4' energy: -51.108
flat angles C4'-P-C4' energy: -47.529
flat angles P-C4'-P energy: -33.965
tors. eta vs tors. theta energy: -68.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -608.276730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.276730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.276730 (E_RNA)
where:
Base-Base interactions energy: -387.878
where: short stacking energy: -183.207
Base-Backbone interact. energy: -0.055
local terms energy: -220.343928
where:
bonds (distance) C4'-P energy: -38.118
bonds (distance) P-C4' energy: -55.765
flat angles C4'-P-C4' energy: -51.389
flat angles P-C4'-P energy: -30.752
tors. eta vs tors. theta energy: -44.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -567.426620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.426620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.426620 (E_RNA)
where:
Base-Base interactions energy: -352.364
where: short stacking energy: -161.537
Base-Backbone interact. energy: -0.066
local terms energy: -214.996010
where:
bonds (distance) C4'-P energy: -45.153
bonds (distance) P-C4' energy: -53.318
flat angles C4'-P-C4' energy: -51.283
flat angles P-C4'-P energy: -29.102
tors. eta vs tors. theta energy: -36.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -457.072892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.072892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.072892 (E_RNA)
where:
Base-Base interactions energy: -282.524
where: short stacking energy: -142.248
Base-Backbone interact. energy: -0.118
local terms energy: -174.430563
where:
bonds (distance) C4'-P energy: -40.752
bonds (distance) P-C4' energy: -51.412
flat angles C4'-P-C4' energy: -37.971
flat angles P-C4'-P energy: -24.122
tors. eta vs tors. theta energy: -20.174
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: 10, replica: 10
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -222.006775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.006775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.006775 (E_RNA)
where:
Base-Base interactions energy: -68.881
where: short stacking energy: -58.441
Base-Backbone interact. energy: 0.401
local terms energy: -153.526105
where:
bonds (distance) C4'-P energy: -34.772
bonds (distance) P-C4' energy: -54.093
flat angles C4'-P-C4' energy: -42.200
flat angles P-C4'-P energy: -22.445
tors. eta vs tors. theta energy: -0.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -907.673377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.673377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.673377 (E_RNA)
where:
Base-Base interactions energy: -620.454
where: short stacking energy: -269.824
Base-Backbone interact. energy: -0.462
local terms energy: -286.757532
where:
bonds (distance) C4'-P energy: -47.327
bonds (distance) P-C4' energy: -53.598
flat angles C4'-P-C4' energy: -63.348
flat angles P-C4'-P energy: -42.575
tors. eta vs tors. theta energy: -79.909
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: 5
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -863.602704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.602704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.602704 (E_RNA)
where:
Base-Base interactions energy: -595.070
where: short stacking energy: -269.425
Base-Backbone interact. energy: -1.142
local terms energy: -267.390901
where:
bonds (distance) C4'-P energy: -50.849
bonds (distance) P-C4' energy: -46.276
flat angles C4'-P-C4' energy: -60.047
flat angles P-C4'-P energy: -40.139
tors. eta vs tors. theta energy: -70.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -864.199672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.199672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.199672 (E_RNA)
where:
Base-Base interactions energy: -603.179
where: short stacking energy: -256.491
Base-Backbone interact. energy: -0.034
local terms energy: -260.986348
where:
bonds (distance) C4'-P energy: -45.071
bonds (distance) P-C4' energy: -54.644
flat angles C4'-P-C4' energy: -55.575
flat angles P-C4'-P energy: -36.904
tors. eta vs tors. theta energy: -68.793
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: 7
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -737.986547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.986547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.986547 (E_RNA)
where:
Base-Base interactions energy: -498.964
where: short stacking energy: -219.193
Base-Backbone interact. energy: 0.345
local terms energy: -239.367952
where:
bonds (distance) C4'-P energy: -48.075
bonds (distance) P-C4' energy: -50.779
flat angles C4'-P-C4' energy: -47.766
flat angles P-C4'-P energy: -36.332
tors. eta vs tors. theta energy: -56.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -714.996751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.996751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.996751 (E_RNA)
where:
Base-Base interactions energy: -482.446
where: short stacking energy: -214.013
Base-Backbone interact. energy: -0.399
local terms energy: -232.152083
where:
bonds (distance) C4'-P energy: -48.650
bonds (distance) P-C4' energy: -43.505
flat angles C4'-P-C4' energy: -56.030
flat angles P-C4'-P energy: -32.630
tors. eta vs tors. theta energy: -51.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -735.319015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.319015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.319015 (E_RNA)
where:
Base-Base interactions energy: -495.641
where: short stacking energy: -227.451
Base-Backbone interact. energy: -0.895
local terms energy: -238.782973
where:
bonds (distance) C4'-P energy: -33.877
bonds (distance) P-C4' energy: -50.843
flat angles C4'-P-C4' energy: -52.659
flat angles P-C4'-P energy: -43.930
tors. eta vs tors. theta energy: -57.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -616.486339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.486339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.486339 (E_RNA)
where:
Base-Base interactions energy: -397.580
where: short stacking energy: -187.353
Base-Backbone interact. energy: 0.217
local terms energy: -219.122636
where:
bonds (distance) C4'-P energy: -50.531
bonds (distance) P-C4' energy: -39.805
flat angles C4'-P-C4' energy: -47.042
flat angles P-C4'-P energy: -35.384
tors. eta vs tors. theta energy: -46.361
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: 1
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -542.956260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.956260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.956260 (E_RNA)
where:
Base-Base interactions energy: -358.767
where: short stacking energy: -170.838
Base-Backbone interact. energy: -1.339
local terms energy: -182.849484
where:
bonds (distance) C4'-P energy: -24.829
bonds (distance) P-C4' energy: -41.402
flat angles C4'-P-C4' energy: -45.356
flat angles P-C4'-P energy: -31.729
tors. eta vs tors. theta energy: -39.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -450.795948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.795948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.795948 (E_RNA)
where:
Base-Base interactions energy: -282.776
where: short stacking energy: -140.998
Base-Backbone interact. energy: 0.738
local terms energy: -168.758739
where:
bonds (distance) C4'-P energy: -37.747
bonds (distance) P-C4' energy: -44.866
flat angles C4'-P-C4' energy: -43.935
flat angles P-C4'-P energy: -27.845
tors. eta vs tors. theta energy: -14.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -251.057823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.057823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.057823 (E_RNA)
where:
Base-Base interactions energy: -85.455
where: short stacking energy: -72.146
Base-Backbone interact. energy: -0.051
local terms energy: -165.551302
where:
bonds (distance) C4'-P energy: -45.533
bonds (distance) P-C4' energy: -50.623
flat angles C4'-P-C4' energy: -42.873
flat angles P-C4'-P energy: -28.319
tors. eta vs tors. theta energy: 1.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -905.700479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.700479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.700479 (E_RNA)
where:
Base-Base interactions energy: -619.279
where: short stacking energy: -267.191
Base-Backbone interact. energy: -1.984
local terms energy: -284.436732
where:
bonds (distance) C4'-P energy: -49.926
bonds (distance) P-C4' energy: -59.552
flat angles C4'-P-C4' energy: -61.986
flat angles P-C4'-P energy: -37.544
tors. eta vs tors. theta energy: -75.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -867.756866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.756866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.756866 (E_RNA)
where:
Base-Base interactions energy: -603.142
where: short stacking energy: -263.318
Base-Backbone interact. energy: -0.828
local terms energy: -263.786567
where:
bonds (distance) C4'-P energy: -47.196
bonds (distance) P-C4' energy: -37.590
flat angles C4'-P-C4' energy: -59.189
flat angles P-C4'-P energy: -50.772
tors. eta vs tors. theta energy: -69.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -859.018372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.018372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.018372 (E_RNA)
where:
Base-Base interactions energy: -579.519
where: short stacking energy: -252.750
Base-Backbone interact. energy: -0.589
local terms energy: -278.910641
where:
bonds (distance) C4'-P energy: -49.722
bonds (distance) P-C4' energy: -56.698
flat angles C4'-P-C4' energy: -55.353
flat angles P-C4'-P energy: -42.832
tors. eta vs tors. theta energy: -74.305
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: 7
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -700.614324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.614324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.614324 (E_RNA)
where:
Base-Base interactions energy: -463.308
where: short stacking energy: -212.076
Base-Backbone interact. energy: 0.946
local terms energy: -238.251773
where:
bonds (distance) C4'-P energy: -40.024
bonds (distance) P-C4' energy: -59.042
flat angles C4'-P-C4' energy: -44.679
flat angles P-C4'-P energy: -35.391
tors. eta vs tors. theta energy: -59.116
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: 5, replica: 4
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -732.447099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.447099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.447099 (E_RNA)
where:
Base-Base interactions energy: -500.702
where: short stacking energy: -204.362
Base-Backbone interact. energy: -0.768
local terms energy: -230.977359
where:
bonds (distance) C4'-P energy: -49.697
bonds (distance) P-C4' energy: -49.803
flat angles C4'-P-C4' energy: -49.423
flat angles P-C4'-P energy: -32.828
tors. eta vs tors. theta energy: -49.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -699.287013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.287013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.287013 (E_RNA)
where:
Base-Base interactions energy: -473.741
where: short stacking energy: -211.412
Base-Backbone interact. energy: -0.879
local terms energy: -224.666560
where:
bonds (distance) C4'-P energy: -38.449
bonds (distance) P-C4' energy: -53.833
flat angles C4'-P-C4' energy: -50.151
flat angles P-C4'-P energy: -36.213
tors. eta vs tors. theta energy: -46.021
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: 8
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -604.065545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.065545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.065545 (E_RNA)
where:
Base-Base interactions energy: -397.477
where: short stacking energy: -165.695
Base-Backbone interact. energy: -1.311
local terms energy: -205.276888
where:
bonds (distance) C4'-P energy: -42.457
bonds (distance) P-C4' energy: -49.608
flat angles C4'-P-C4' energy: -47.756
flat angles P-C4'-P energy: -28.250
tors. eta vs tors. theta energy: -37.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -522.936827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.936827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.936827 (E_RNA)
where:
Base-Base interactions energy: -331.003
where: short stacking energy: -162.889
Base-Backbone interact. energy: -1.507
local terms energy: -190.427334
where:
bonds (distance) C4'-P energy: -40.904
bonds (distance) P-C4' energy: -51.775
flat angles C4'-P-C4' energy: -38.677
flat angles P-C4'-P energy: -26.797
tors. eta vs tors. theta energy: -32.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -462.629834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.629834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.629834 (E_RNA)
where:
Base-Base interactions energy: -280.690
where: short stacking energy: -136.256
Base-Backbone interact. energy: 3.825
local terms energy: -185.764640
where:
bonds (distance) C4'-P energy: -42.675
bonds (distance) P-C4' energy: -47.915
flat angles C4'-P-C4' energy: -42.634
flat angles P-C4'-P energy: -20.060
tors. eta vs tors. theta energy: -32.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -240.481935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.481935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.481935 (E_RNA)
where:
Base-Base interactions energy: -102.431
where: short stacking energy: -82.478
Base-Backbone interact. energy: 4.428
local terms energy: -142.478376
where:
bonds (distance) C4'-P energy: -39.387
bonds (distance) P-C4' energy: -31.883
flat angles C4'-P-C4' energy: -41.954
flat angles P-C4'-P energy: -28.142
tors. eta vs tors. theta energy: -1.113
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: 473
Temperature: 0.900000
Total energy: -909.347319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.347319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.347319 (E_RNA)
where:
Base-Base interactions energy: -618.369
where: short stacking energy: -270.491
Base-Backbone interact. energy: 0.464
local terms energy: -291.442499
where:
bonds (distance) C4'-P energy: -57.058
bonds (distance) P-C4' energy: -56.375
flat angles C4'-P-C4' energy: -59.244
flat angles P-C4'-P energy: -42.654
tors. eta vs tors. theta energy: -76.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -874.389216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.389216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.389216 (E_RNA)
where:
Base-Base interactions energy: -600.522
where: short stacking energy: -266.557
Base-Backbone interact. energy: -0.355
local terms energy: -273.511809
where:
bonds (distance) C4'-P energy: -48.013
bonds (distance) P-C4' energy: -58.361
flat angles C4'-P-C4' energy: -56.489
flat angles P-C4'-P energy: -39.720
tors. eta vs tors. theta energy: -70.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -884.072870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.072870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.072870 (E_RNA)
where:
Base-Base interactions energy: -611.790
where: short stacking energy: -259.888
Base-Backbone interact. energy: -4.102
local terms energy: -268.180894
where:
bonds (distance) C4'-P energy: -46.370
bonds (distance) P-C4' energy: -49.319
flat angles C4'-P-C4' energy: -64.300
flat angles P-C4'-P energy: -41.369
tors. eta vs tors. theta energy: -66.822
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: 4
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -776.898550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.898550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.898550 (E_RNA)
where:
Base-Base interactions energy: -515.024
where: short stacking energy: -233.862
Base-Backbone interact. energy: 3.920
local terms energy: -265.794622
where:
bonds (distance) C4'-P energy: -50.287
bonds (distance) P-C4' energy: -57.497
flat angles C4'-P-C4' energy: -57.350
flat angles P-C4'-P energy: -39.599
tors. eta vs tors. theta energy: -61.062
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: 7
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -687.124306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.124306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.124306 (E_RNA)
where:
Base-Base interactions energy: -461.747
where: short stacking energy: -198.765
Base-Backbone interact. energy: -1.539
local terms energy: -223.837840
where:
bonds (distance) C4'-P energy: -41.923
bonds (distance) P-C4' energy: -50.201
flat angles C4'-P-C4' energy: -54.183
flat angles P-C4'-P energy: -34.665
tors. eta vs tors. theta energy: -42.865
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: 6
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -712.701281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.701281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.701281 (E_RNA)
where:
Base-Base interactions energy: -490.402
where: short stacking energy: -221.470
Base-Backbone interact. energy: -1.225
local terms energy: -221.074146
where:
bonds (distance) C4'-P energy: -39.973
bonds (distance) P-C4' energy: -43.893
flat angles C4'-P-C4' energy: -47.282
flat angles P-C4'-P energy: -39.747
tors. eta vs tors. theta energy: -50.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -598.320304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.320304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.320304 (E_RNA)
where:
Base-Base interactions energy: -384.526
where: short stacking energy: -167.615
Base-Backbone interact. energy: -1.039
local terms energy: -212.755257
where:
bonds (distance) C4'-P energy: -37.688
bonds (distance) P-C4' energy: -52.026
flat angles C4'-P-C4' energy: -44.048
flat angles P-C4'-P energy: -37.073
tors. eta vs tors. theta energy: -41.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -539.498934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.498934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.498934 (E_RNA)
where:
Base-Base interactions energy: -325.397
where: short stacking energy: -147.734
Base-Backbone interact. energy: 3.150
local terms energy: -217.251709
where:
bonds (distance) C4'-P energy: -48.115
bonds (distance) P-C4' energy: -50.433
flat angles C4'-P-C4' energy: -52.346
flat angles P-C4'-P energy: -36.695
tors. eta vs tors. theta energy: -29.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -461.276584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.276584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.276584 (E_RNA)
where:
Base-Base interactions energy: -270.489
where: short stacking energy: -132.270
Base-Backbone interact. energy: 3.767
local terms energy: -194.555141
where:
bonds (distance) C4'-P energy: -41.016
bonds (distance) P-C4' energy: -48.915
flat angles C4'-P-C4' energy: -48.124
flat angles P-C4'-P energy: -28.842
tors. eta vs tors. theta energy: -27.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -244.010920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.010920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.010920 (E_RNA)
where:
Base-Base interactions energy: -112.305
where: short stacking energy: -82.869
Base-Backbone interact. energy: -0.480
local terms energy: -131.226821
where:
bonds (distance) C4'-P energy: -33.701
bonds (distance) P-C4' energy: -40.021
flat angles C4'-P-C4' energy: -40.041
flat angles P-C4'-P energy: -23.103
tors. eta vs tors. theta energy: 5.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -911.595025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.595025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.595025 (E_RNA)
where:
Base-Base interactions energy: -619.865
where: short stacking energy: -265.287
Base-Backbone interact. energy: -0.658
local terms energy: -291.072519
where:
bonds (distance) C4'-P energy: -51.560
bonds (distance) P-C4' energy: -51.570
flat angles C4'-P-C4' energy: -65.148
flat angles P-C4'-P energy: -46.174
tors. eta vs tors. theta energy: -76.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -861.078236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.078236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.078236 (E_RNA)
where:
Base-Base interactions energy: -579.769
where: short stacking energy: -249.683
Base-Backbone interact. energy: 0.100
local terms energy: -281.409384
where:
bonds (distance) C4'-P energy: -50.499
bonds (distance) P-C4' energy: -55.776
flat angles C4'-P-C4' energy: -61.534
flat angles P-C4'-P energy: -41.072
tors. eta vs tors. theta energy: -72.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -868.595747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.595747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.595747 (E_RNA)
where:
Base-Base interactions energy: -602.864
where: short stacking energy: -252.600
Base-Backbone interact. energy: -2.358
local terms energy: -263.374199
where:
bonds (distance) C4'-P energy: -47.642
bonds (distance) P-C4' energy: -57.117
flat angles C4'-P-C4' energy: -53.531
flat angles P-C4'-P energy: -40.382
tors. eta vs tors. theta energy: -64.703
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: 4
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -719.863536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.863536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.863536 (E_RNA)
where:
Base-Base interactions energy: -485.206
where: short stacking energy: -209.309
Base-Backbone interact. energy: 1.272
local terms energy: -235.929572
where:
bonds (distance) C4'-P energy: -51.875
bonds (distance) P-C4' energy: -46.883
flat angles C4'-P-C4' energy: -58.099
flat angles P-C4'-P energy: -29.638
tors. eta vs tors. theta energy: -49.435
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: 6
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -773.953278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.953278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.953278 (E_RNA)
where:
Base-Base interactions energy: -517.523
where: short stacking energy: -229.138
Base-Backbone interact. energy: -1.025
local terms energy: -255.405038
where:
bonds (distance) C4'-P energy: -51.252
bonds (distance) P-C4' energy: -44.923
flat angles C4'-P-C4' energy: -60.615
flat angles P-C4'-P energy: -32.963
tors. eta vs tors. theta energy: -65.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -670.711578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.711578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.711578 (E_RNA)
where:
Base-Base interactions energy: -450.666
where: short stacking energy: -196.192
Base-Backbone interact. energy: 0.029
local terms energy: -220.074599
where:
bonds (distance) C4'-P energy: -47.505
bonds (distance) P-C4' energy: -40.950
flat angles C4'-P-C4' energy: -51.631
flat angles P-C4'-P energy: -34.796
tors. eta vs tors. theta energy: -45.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -586.477097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.477097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.477097 (E_RNA)
where:
Base-Base interactions energy: -390.026
where: short stacking energy: -167.961
Base-Backbone interact. energy: 0.761
local terms energy: -197.211968
where:
bonds (distance) C4'-P energy: -46.680
bonds (distance) P-C4' energy: -42.279
flat angles C4'-P-C4' energy: -51.390
flat angles P-C4'-P energy: -26.001
tors. eta vs tors. theta energy: -30.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -590.809039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.809039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.809039 (E_RNA)
where:
Base-Base interactions energy: -366.864
where: short stacking energy: -174.580
Base-Backbone interact. energy: -0.147
local terms energy: -223.798271
where:
bonds (distance) C4'-P energy: -41.033
bonds (distance) P-C4' energy: -53.738
flat angles C4'-P-C4' energy: -55.004
flat angles P-C4'-P energy: -35.065
tors. eta vs tors. theta energy: -38.959
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: 9
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -463.328337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.328337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.328337 (E_RNA)
where:
Base-Base interactions energy: -277.832
where: short stacking energy: -126.474
Base-Backbone interact. energy: -0.740
local terms energy: -184.756785
where:
bonds (distance) C4'-P energy: -48.891
bonds (distance) P-C4' energy: -44.258
flat angles C4'-P-C4' energy: -41.641
flat angles P-C4'-P energy: -29.375
tors. eta vs tors. theta energy: -20.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -245.331726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.331726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.331726 (E_RNA)
where:
Base-Base interactions energy: -96.651
where: short stacking energy: -71.692
Base-Backbone interact. energy: -1.045
local terms energy: -147.636131
where:
bonds (distance) C4'-P energy: -35.072
bonds (distance) P-C4' energy: -45.821
flat angles C4'-P-C4' energy: -34.219
flat angles P-C4'-P energy: -32.469
tors. eta vs tors. theta energy: -0.055
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: 1, replica: 2
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -916.713414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.713414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.713414 (E_RNA)
where:
Base-Base interactions energy: -637.949
where: short stacking energy: -283.182
Base-Backbone interact. energy: -0.647
local terms energy: -278.117087
where:
bonds (distance) C4'-P energy: -54.570
bonds (distance) P-C4' energy: -47.803
flat angles C4'-P-C4' energy: -59.573
flat angles P-C4'-P energy: -40.662
tors. eta vs tors. theta energy: -75.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -885.659770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.659770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.659770 (E_RNA)
where:
Base-Base interactions energy: -619.399
where: short stacking energy: -249.510
Base-Backbone interact. energy: -0.781
local terms energy: -265.479882
where:
bonds (distance) C4'-P energy: -41.518
bonds (distance) P-C4' energy: -53.926
flat angles C4'-P-C4' energy: -57.054
flat angles P-C4'-P energy: -43.712
tors. eta vs tors. theta energy: -69.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -837.348412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.348412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.348412 (E_RNA)
where:
Base-Base interactions energy: -570.957
where: short stacking energy: -241.940
Base-Backbone interact. energy: -1.931
local terms energy: -264.460235
where:
bonds (distance) C4'-P energy: -55.786
bonds (distance) P-C4' energy: -51.710
flat angles C4'-P-C4' energy: -58.546
flat angles P-C4'-P energy: -33.078
tors. eta vs tors. theta energy: -65.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -798.178149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.178149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.178149 (E_RNA)
where:
Base-Base interactions energy: -533.071
where: short stacking energy: -245.510
Base-Backbone interact. energy: -0.148
local terms energy: -264.959212
where:
bonds (distance) C4'-P energy: -61.090
bonds (distance) P-C4' energy: -34.642
flat angles C4'-P-C4' energy: -59.560
flat angles P-C4'-P energy: -39.466
tors. eta vs tors. theta energy: -70.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -722.960805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.960805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.960805 (E_RNA)
where:
Base-Base interactions energy: -484.860
where: short stacking energy: -227.680
Base-Backbone interact. energy: -1.594
local terms energy: -236.506071
where:
bonds (distance) C4'-P energy: -40.572
bonds (distance) P-C4' energy: -44.402
flat angles C4'-P-C4' energy: -62.211
flat angles P-C4'-P energy: -37.344
tors. eta vs tors. theta energy: -51.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -677.297256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.297256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.297256 (E_RNA)
where:
Base-Base interactions energy: -450.247
where: short stacking energy: -193.872
Base-Backbone interact. energy: -0.749
local terms energy: -226.302143
where:
bonds (distance) C4'-P energy: -40.180
bonds (distance) P-C4' energy: -56.006
flat angles C4'-P-C4' energy: -53.378
flat angles P-C4'-P energy: -29.252
tors. eta vs tors. theta energy: -47.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -609.279120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.279120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.279120 (E_RNA)
where:
Base-Base interactions energy: -406.947
where: short stacking energy: -170.004
Base-Backbone interact. energy: 1.466
local terms energy: -203.798840
where:
bonds (distance) C4'-P energy: -45.173
bonds (distance) P-C4' energy: -46.320
flat angles C4'-P-C4' energy: -37.902
flat angles P-C4'-P energy: -35.922
tors. eta vs tors. theta energy: -38.482
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: 1
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -567.154705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.154705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.154705 (E_RNA)
where:
Base-Base interactions energy: -364.348
where: short stacking energy: -159.729
Base-Backbone interact. energy: -0.249
local terms energy: -202.557721
where:
bonds (distance) C4'-P energy: -45.947
bonds (distance) P-C4' energy: -49.726
flat angles C4'-P-C4' energy: -40.866
flat angles P-C4'-P energy: -34.734
tors. eta vs tors. theta energy: -31.285
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: 9, replica: 9
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -443.601664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.601664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.601664 (E_RNA)
where:
Base-Base interactions energy: -256.846
where: short stacking energy: -132.827
Base-Backbone interact. energy: -0.876
local terms energy: -185.879293
where:
bonds (distance) C4'-P energy: -38.956
bonds (distance) P-C4' energy: -53.150
flat angles C4'-P-C4' energy: -48.002
flat angles P-C4'-P energy: -24.340
tors. eta vs tors. theta energy: -21.432
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: 10
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -273.545499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.545499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.545499 (E_RNA)
where:
Base-Base interactions energy: -123.118
where: short stacking energy: -60.691
Base-Backbone interact. energy: -1.292
local terms energy: -149.134645
where:
bonds (distance) C4'-P energy: -43.111
bonds (distance) P-C4' energy: -48.415
flat angles C4'-P-C4' energy: -48.177
flat angles P-C4'-P energy: -14.887
tors. eta vs tors. theta energy: 5.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -895.512247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.512247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.512247 (E_RNA)
where:
Base-Base interactions energy: -625.778
where: short stacking energy: -261.389
Base-Backbone interact. energy: -2.536
local terms energy: -267.197984
where:
bonds (distance) C4'-P energy: -50.398
bonds (distance) P-C4' energy: -48.987
flat angles C4'-P-C4' energy: -57.579
flat angles P-C4'-P energy: -38.099
tors. eta vs tors. theta energy: -72.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -879.842520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.842520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.842520 (E_RNA)
where:
Base-Base interactions energy: -615.076
where: short stacking energy: -261.029
Base-Backbone interact. energy: -0.121
local terms energy: -264.645023
where:
bonds (distance) C4'-P energy: -39.831
bonds (distance) P-C4' energy: -52.839
flat angles C4'-P-C4' energy: -58.995
flat angles P-C4'-P energy: -39.856
tors. eta vs tors. theta energy: -73.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -820.191773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.191773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.191773 (E_RNA)
where:
Base-Base interactions energy: -571.118
where: short stacking energy: -245.334
Base-Backbone interact. energy: -1.967
local terms energy: -247.106495
where:
bonds (distance) C4'-P energy: -40.649
bonds (distance) P-C4' energy: -45.873
flat angles C4'-P-C4' energy: -58.139
flat angles P-C4'-P energy: -35.059
tors. eta vs tors. theta energy: -67.386
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: 6
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -783.747445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.747445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.747445 (E_RNA)
where:
Base-Base interactions energy: -523.073
where: short stacking energy: -228.361
Base-Backbone interact. energy: -0.251
local terms energy: -260.423806
where:
bonds (distance) C4'-P energy: -56.259
bonds (distance) P-C4' energy: -50.846
flat angles C4'-P-C4' energy: -61.420
flat angles P-C4'-P energy: -29.397
tors. eta vs tors. theta energy: -62.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -694.969248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.969248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.969248 (E_RNA)
where:
Base-Base interactions energy: -467.367
where: short stacking energy: -181.009
Base-Backbone interact. energy: -0.238
local terms energy: -227.363375
where:
bonds (distance) C4'-P energy: -48.435
bonds (distance) P-C4' energy: -45.118
flat angles C4'-P-C4' energy: -44.111
flat angles P-C4'-P energy: -40.880
tors. eta vs tors. theta energy: -48.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -713.069718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.069718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.069718 (E_RNA)
where:
Base-Base interactions energy: -484.391
where: short stacking energy: -200.664
Base-Backbone interact. energy: 3.541
local terms energy: -232.220350
where:
bonds (distance) C4'-P energy: -44.826
bonds (distance) P-C4' energy: -44.121
flat angles C4'-P-C4' energy: -52.308
flat angles P-C4'-P energy: -35.239
tors. eta vs tors. theta energy: -55.727
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: 7, replica: 8
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -590.366377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.366377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.366377 (E_RNA)
where:
Base-Base interactions energy: -371.346
where: short stacking energy: -162.037
Base-Backbone interact. energy: -0.070
local terms energy: -218.949811
where:
bonds (distance) C4'-P energy: -55.978
bonds (distance) P-C4' energy: -39.982
flat angles C4'-P-C4' energy: -52.270
flat angles P-C4'-P energy: -33.862
tors. eta vs tors. theta energy: -36.858
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: 8, replica: 1
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -530.539201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.539201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.539201 (E_RNA)
where:
Base-Base interactions energy: -340.135
where: short stacking energy: -157.346
Base-Backbone interact. energy: -0.736
local terms energy: -189.668579
where:
bonds (distance) C4'-P energy: -39.440
bonds (distance) P-C4' energy: -49.763
flat angles C4'-P-C4' energy: -41.346
flat angles P-C4'-P energy: -27.001
tors. eta vs tors. theta energy: -32.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -435.027119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.027119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.027119 (E_RNA)
where:
Base-Base interactions energy: -228.092
where: short stacking energy: -108.985
Base-Backbone interact. energy: 2.178
local terms energy: -209.113031
where:
bonds (distance) C4'-P energy: -55.411
bonds (distance) P-C4' energy: -58.644
flat angles C4'-P-C4' energy: -45.763
flat angles P-C4'-P energy: -29.154
tors. eta vs tors. theta energy: -20.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -273.291346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.291346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.291346 (E_RNA)
where:
Base-Base interactions energy: -135.851
where: short stacking energy: -86.734
Base-Backbone interact. energy: -0.993
local terms energy: -136.447847
where:
bonds (distance) C4'-P energy: -45.208
bonds (distance) P-C4' energy: -39.815
flat angles C4'-P-C4' energy: -33.366
flat angles P-C4'-P energy: -20.885
tors. eta vs tors. theta energy: 2.825
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: 3
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -901.362115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.362115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.362115 (E_RNA)
where:
Base-Base interactions energy: -629.940
where: short stacking energy: -268.949
Base-Backbone interact. energy: -1.238
local terms energy: -270.184448
where:
bonds (distance) C4'-P energy: -56.219
bonds (distance) P-C4' energy: -43.700
flat angles C4'-P-C4' energy: -60.858
flat angles P-C4'-P energy: -37.060
tors. eta vs tors. theta energy: -72.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -884.396981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.396981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.396981 (E_RNA)
where:
Base-Base interactions energy: -607.235
where: short stacking energy: -270.319
Base-Backbone interact. energy: -0.192
local terms energy: -276.970899
where:
bonds (distance) C4'-P energy: -47.142
bonds (distance) P-C4' energy: -53.834
flat angles C4'-P-C4' energy: -54.738
flat angles P-C4'-P energy: -39.520
tors. eta vs tors. theta energy: -81.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -815.744942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.744942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.744942 (E_RNA)
where:
Base-Base interactions energy: -554.461
where: short stacking energy: -238.984
Base-Backbone interact. energy: -2.111
local terms energy: -259.173522
where:
bonds (distance) C4'-P energy: -49.837
bonds (distance) P-C4' energy: -49.367
flat angles C4'-P-C4' energy: -54.193
flat angles P-C4'-P energy: -38.113
tors. eta vs tors. theta energy: -67.664
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: 6
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -763.798916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.798916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.798916 (E_RNA)
where:
Base-Base interactions energy: -516.129
where: short stacking energy: -232.330
Base-Backbone interact. energy: -0.923
local terms energy: -246.747427
where:
bonds (distance) C4'-P energy: -50.169
bonds (distance) P-C4' energy: -46.011
flat angles C4'-P-C4' energy: -47.213
flat angles P-C4'-P energy: -38.923
tors. eta vs tors. theta energy: -64.432
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: 7
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -714.916050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.916050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.916050 (E_RNA)
where:
Base-Base interactions energy: -465.315
where: short stacking energy: -200.261
Base-Backbone interact. energy: 1.634
local terms energy: -251.235964
where:
bonds (distance) C4'-P energy: -47.536
bonds (distance) P-C4' energy: -55.640
flat angles C4'-P-C4' energy: -55.031
flat angles P-C4'-P energy: -36.395
tors. eta vs tors. theta energy: -56.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -610.309489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.309489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.309489 (E_RNA)
where:
Base-Base interactions energy: -399.682
where: short stacking energy: -173.135
Base-Backbone interact. energy: -0.677
local terms energy: -209.950870
where:
bonds (distance) C4'-P energy: -52.645
bonds (distance) P-C4' energy: -41.781
flat angles C4'-P-C4' energy: -47.841
flat angles P-C4'-P energy: -34.934
tors. eta vs tors. theta energy: -32.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -677.247047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.247047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.247047 (E_RNA)
where:
Base-Base interactions energy: -444.021
where: short stacking energy: -197.515
Base-Backbone interact. energy: 2.210
local terms energy: -235.435997
where:
bonds (distance) C4'-P energy: -50.926
bonds (distance) P-C4' energy: -54.453
flat angles C4'-P-C4' energy: -43.684
flat angles P-C4'-P energy: -34.705
tors. eta vs tors. theta energy: -51.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -532.150923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.150923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.150923 (E_RNA)
where:
Base-Base interactions energy: -348.528
where: short stacking energy: -161.952
Base-Backbone interact. energy: 0.687
local terms energy: -184.309835
where:
bonds (distance) C4'-P energy: -34.158
bonds (distance) P-C4' energy: -46.731
flat angles C4'-P-C4' energy: -45.181
flat angles P-C4'-P energy: -31.325
tors. eta vs tors. theta energy: -26.914
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: 9
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -470.262336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.262336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.262336 (E_RNA)
where:
Base-Base interactions energy: -287.502
where: short stacking energy: -149.746
Base-Backbone interact. energy: 2.924
local terms energy: -185.684636
where:
bonds (distance) C4'-P energy: -42.725
bonds (distance) P-C4' energy: -52.313
flat angles C4'-P-C4' energy: -36.560
flat angles P-C4'-P energy: -24.112
tors. eta vs tors. theta energy: -29.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -289.388642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.388642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.388642 (E_RNA)
where:
Base-Base interactions energy: -132.346
where: short stacking energy: -66.483
Base-Backbone interact. energy: 3.886
local terms energy: -160.928744
where:
bonds (distance) C4'-P energy: -47.368
bonds (distance) P-C4' energy: -37.902
flat angles C4'-P-C4' energy: -51.910
flat angles P-C4'-P energy: -25.254
tors. eta vs tors. theta energy: 1.506
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: 3
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -896.082865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.082865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.082865 (E_RNA)
where:
Base-Base interactions energy: -611.294
where: short stacking energy: -260.508
Base-Backbone interact. energy: 0.696
local terms energy: -285.485596
where:
bonds (distance) C4'-P energy: -56.995
bonds (distance) P-C4' energy: -55.795
flat angles C4'-P-C4' energy: -61.086
flat angles P-C4'-P energy: -41.313
tors. eta vs tors. theta energy: -70.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -894.584874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.584874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.584874 (E_RNA)
where:
Base-Base interactions energy: -612.894
where: short stacking energy: -284.501
Base-Backbone interact. energy: 0.933
local terms energy: -282.623275
where:
bonds (distance) C4'-P energy: -48.368
bonds (distance) P-C4' energy: -48.256
flat angles C4'-P-C4' energy: -62.838
flat angles P-C4'-P energy: -42.810
tors. eta vs tors. theta energy: -80.351
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: 3, replica: 5
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -815.488723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.488723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.488723 (E_RNA)
where:
Base-Base interactions energy: -556.081
where: short stacking energy: -248.385
Base-Backbone interact. energy: -1.450
local terms energy: -257.957432
where:
bonds (distance) C4'-P energy: -46.093
bonds (distance) P-C4' energy: -57.610
flat angles C4'-P-C4' energy: -55.732
flat angles P-C4'-P energy: -32.081
tors. eta vs tors. theta energy: -66.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -794.358261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.358261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.358261 (E_RNA)
where:
Base-Base interactions energy: -540.709
where: short stacking energy: -251.459
Base-Backbone interact. energy: -0.179
local terms energy: -253.470330
where:
bonds (distance) C4'-P energy: -39.277
bonds (distance) P-C4' energy: -46.768
flat angles C4'-P-C4' energy: -58.585
flat angles P-C4'-P energy: -40.207
tors. eta vs tors. theta energy: -68.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -700.919543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.919543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.919543 (E_RNA)
where:
Base-Base interactions energy: -466.715
where: short stacking energy: -188.477
Base-Backbone interact. energy: -0.544
local terms energy: -233.660404
where:
bonds (distance) C4'-P energy: -48.975
bonds (distance) P-C4' energy: -59.834
flat angles C4'-P-C4' energy: -43.598
flat angles P-C4'-P energy: -39.882
tors. eta vs tors. theta energy: -41.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -619.490804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.490804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.490804 (E_RNA)
where:
Base-Base interactions energy: -388.489
where: short stacking energy: -191.700
Base-Backbone interact. energy: 2.627
local terms energy: -233.628684
where:
bonds (distance) C4'-P energy: -53.439
bonds (distance) P-C4' energy: -47.809
flat angles C4'-P-C4' energy: -47.580
flat angles P-C4'-P energy: -37.424
tors. eta vs tors. theta energy: -47.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -657.102115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.102115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.102115 (E_RNA)
where:
Base-Base interactions energy: -423.044
where: short stacking energy: -186.961
Base-Backbone interact. energy: -0.542
local terms energy: -233.515412
where:
bonds (distance) C4'-P energy: -45.679
bonds (distance) P-C4' energy: -51.385
flat angles C4'-P-C4' energy: -50.795
flat angles P-C4'-P energy: -39.640
tors. eta vs tors. theta energy: -46.016
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: 8, replica: 1
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -570.035396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.035396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.035396 (E_RNA)
where:
Base-Base interactions energy: -376.297
where: short stacking energy: -180.667
Base-Backbone interact. energy: 2.373
local terms energy: -196.112164
where:
bonds (distance) C4'-P energy: -41.683
bonds (distance) P-C4' energy: -43.049
flat angles C4'-P-C4' energy: -42.732
flat angles P-C4'-P energy: -27.553
tors. eta vs tors. theta energy: -41.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -462.167823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.167823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.167823 (E_RNA)
where:
Base-Base interactions energy: -291.550
where: short stacking energy: -157.053
Base-Backbone interact. energy: 2.406
local terms energy: -173.024279
where:
bonds (distance) C4'-P energy: -36.710
bonds (distance) P-C4' energy: -37.238
flat angles C4'-P-C4' energy: -41.452
flat angles P-C4'-P energy: -27.126
tors. eta vs tors. theta energy: -30.498
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: 10
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -280.814155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.814155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.814155 (E_RNA)
where:
Base-Base interactions energy: -126.822
where: short stacking energy: -56.617
Base-Backbone interact. energy: -0.316
local terms energy: -153.676108
where:
bonds (distance) C4'-P energy: -45.803
bonds (distance) P-C4' energy: -45.626
flat angles C4'-P-C4' energy: -39.669
flat angles P-C4'-P energy: -27.344
tors. eta vs tors. theta energy: 4.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -899.527376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.527376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.527376 (E_RNA)
where:
Base-Base interactions energy: -611.176
where: short stacking energy: -246.090
Base-Backbone interact. energy: 5.595
local terms energy: -293.946712
where:
bonds (distance) C4'-P energy: -58.639
bonds (distance) P-C4' energy: -58.838
flat angles C4'-P-C4' energy: -60.966
flat angles P-C4'-P energy: -47.758
tors. eta vs tors. theta energy: -67.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -883.552300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.552300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.552300 (E_RNA)
where:
Base-Base interactions energy: -597.396
where: short stacking energy: -273.226
Base-Backbone interact. energy: -0.459
local terms energy: -285.697112
where:
bonds (distance) C4'-P energy: -49.426
bonds (distance) P-C4' energy: -49.504
flat angles C4'-P-C4' energy: -63.005
flat angles P-C4'-P energy: -43.890
tors. eta vs tors. theta energy: -79.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -820.186667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.186667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.186667 (E_RNA)
where:
Base-Base interactions energy: -561.236
where: short stacking energy: -231.602
Base-Backbone interact. energy: -0.990
local terms energy: -257.961171
where:
bonds (distance) C4'-P energy: -48.605
bonds (distance) P-C4' energy: -56.174
flat angles C4'-P-C4' energy: -55.035
flat angles P-C4'-P energy: -32.913
tors. eta vs tors. theta energy: -65.235
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: 6
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -787.824652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.824652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.824652 (E_RNA)
where:
Base-Base interactions energy: -514.825
where: short stacking energy: -247.196
Base-Backbone interact. energy: 0.303
local terms energy: -273.302584
where:
bonds (distance) C4'-P energy: -53.845
bonds (distance) P-C4' energy: -49.689
flat angles C4'-P-C4' energy: -62.407
flat angles P-C4'-P energy: -32.393
tors. eta vs tors. theta energy: -74.969
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: 5, replica: 7
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -736.022466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.022466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.022466 (E_RNA)
where:
Base-Base interactions energy: -515.465
where: short stacking energy: -211.347
Base-Backbone interact. energy: 3.540
local terms energy: -224.097698
where:
bonds (distance) C4'-P energy: -52.250
bonds (distance) P-C4' energy: -41.476
flat angles C4'-P-C4' energy: -41.333
flat angles P-C4'-P energy: -33.938
tors. eta vs tors. theta energy: -55.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -607.653663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.653663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.653663 (E_RNA)
where:
Base-Base interactions energy: -388.484
where: short stacking energy: -188.955
Base-Backbone interact. energy: -0.313
local terms energy: -218.856101
where:
bonds (distance) C4'-P energy: -52.889
bonds (distance) P-C4' energy: -40.229
flat angles C4'-P-C4' energy: -43.397
flat angles P-C4'-P energy: -36.874
tors. eta vs tors. theta energy: -45.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -607.958232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.958232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.958232 (E_RNA)
where:
Base-Base interactions energy: -399.183
where: short stacking energy: -195.716
Base-Backbone interact. energy: -0.420
local terms energy: -208.355027
where:
bonds (distance) C4'-P energy: -36.551
bonds (distance) P-C4' energy: -45.087
flat angles C4'-P-C4' energy: -51.284
flat angles P-C4'-P energy: -30.550
tors. eta vs tors. theta energy: -44.883
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: 1
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -537.556490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.556490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.556490 (E_RNA)
where:
Base-Base interactions energy: -331.851
where: short stacking energy: -141.571
Base-Backbone interact. energy: -1.685
local terms energy: -204.020292
where:
bonds (distance) C4'-P energy: -39.882
bonds (distance) P-C4' energy: -48.608
flat angles C4'-P-C4' energy: -43.137
flat angles P-C4'-P energy: -37.294
tors. eta vs tors. theta energy: -35.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -470.552626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.552626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.552626 (E_RNA)
where:
Base-Base interactions energy: -271.815
where: short stacking energy: -139.951
Base-Backbone interact. energy: -0.861
local terms energy: -197.877508
where:
bonds (distance) C4'-P energy: -36.951
bonds (distance) P-C4' energy: -51.132
flat angles C4'-P-C4' energy: -46.153
flat angles P-C4'-P energy: -32.786
tors. eta vs tors. theta energy: -30.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -280.089392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.089392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.089392 (E_RNA)
where:
Base-Base interactions energy: -133.331
where: short stacking energy: -74.616
Base-Backbone interact. energy: -0.724
local terms energy: -146.034349
where:
bonds (distance) C4'-P energy: -37.210
bonds (distance) P-C4' energy: -47.589
flat angles C4'-P-C4' energy: -38.599
flat angles P-C4'-P energy: -19.499
tors. eta vs tors. theta energy: -3.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -903.150274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.150274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.150274 (E_RNA)
where:
Base-Base interactions energy: -618.132
where: short stacking energy: -253.817
Base-Backbone interact. energy: -0.817
local terms energy: -284.200930
where:
bonds (distance) C4'-P energy: -50.452
bonds (distance) P-C4' energy: -57.419
flat angles C4'-P-C4' energy: -60.522
flat angles P-C4'-P energy: -46.556
tors. eta vs tors. theta energy: -69.252
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: 480
Temperature: 0.950000
Total energy: -879.887755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.887755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.887755 (E_RNA)
where:
Base-Base interactions energy: -589.738
where: short stacking energy: -266.735
Base-Backbone interact. energy: 0.381
local terms energy: -290.530207
where:
bonds (distance) C4'-P energy: -54.010
bonds (distance) P-C4' energy: -55.463
flat angles C4'-P-C4' energy: -56.872
flat angles P-C4'-P energy: -43.658
tors. eta vs tors. theta energy: -80.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -832.716592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.716592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.716592 (E_RNA)
where:
Base-Base interactions energy: -570.566
where: short stacking energy: -245.709
Base-Backbone interact. energy: -1.685
local terms energy: -260.466169
where:
bonds (distance) C4'-P energy: -52.930
bonds (distance) P-C4' energy: -42.641
flat angles C4'-P-C4' energy: -47.470
flat angles P-C4'-P energy: -44.675
tors. eta vs tors. theta energy: -72.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -787.306675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.306675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.306675 (E_RNA)
where:
Base-Base interactions energy: -522.492
where: short stacking energy: -254.181
Base-Backbone interact. energy: -0.022
local terms energy: -264.792900
where:
bonds (distance) C4'-P energy: -50.526
bonds (distance) P-C4' energy: -47.320
flat angles C4'-P-C4' energy: -58.203
flat angles P-C4'-P energy: -35.766
tors. eta vs tors. theta energy: -72.979
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: 7
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -772.137385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.137385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.137385 (E_RNA)
where:
Base-Base interactions energy: -530.022
where: short stacking energy: -213.650
Base-Backbone interact. energy: 0.413
local terms energy: -242.528155
where:
bonds (distance) C4'-P energy: -41.495
bonds (distance) P-C4' energy: -53.916
flat angles C4'-P-C4' energy: -58.327
flat angles P-C4'-P energy: -31.297
tors. eta vs tors. theta energy: -57.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -618.441743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.441743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.441743 (E_RNA)
where:
Base-Base interactions energy: -396.917
where: short stacking energy: -173.325
Base-Backbone interact. energy: -0.923
local terms energy: -220.601553
where:
bonds (distance) C4'-P energy: -43.581
bonds (distance) P-C4' energy: -53.911
flat angles C4'-P-C4' energy: -51.705
flat angles P-C4'-P energy: -33.284
tors. eta vs tors. theta energy: -38.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -573.480144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.480144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.480144 (E_RNA)
where:
Base-Base interactions energy: -374.669
where: short stacking energy: -163.115
Base-Backbone interact. energy: 1.110
local terms energy: -199.921812
where:
bonds (distance) C4'-P energy: -44.680
bonds (distance) P-C4' energy: -52.775
flat angles C4'-P-C4' energy: -41.388
flat angles P-C4'-P energy: -23.815
tors. eta vs tors. theta energy: -37.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -562.172119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.172119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.172119 (E_RNA)
where:
Base-Base interactions energy: -371.745
where: short stacking energy: -176.695
Base-Backbone interact. energy: -0.241
local terms energy: -190.186402
where:
bonds (distance) C4'-P energy: -29.493
bonds (distance) P-C4' energy: -34.884
flat angles C4'-P-C4' energy: -50.692
flat angles P-C4'-P energy: -32.724
tors. eta vs tors. theta energy: -42.394
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: 9, replica: 9
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -452.356108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.356108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.356108 (E_RNA)
where:
Base-Base interactions energy: -275.500
where: short stacking energy: -134.103
Base-Backbone interact. energy: -0.579
local terms energy: -176.277648
where:
bonds (distance) C4'-P energy: -52.207
bonds (distance) P-C4' energy: -48.393
flat angles C4'-P-C4' energy: -41.500
flat angles P-C4'-P energy: -17.369
tors. eta vs tors. theta energy: -16.809
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: 10
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -287.976418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.976418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.976418 (E_RNA)
where:
Base-Base interactions energy: -125.768
where: short stacking energy: -79.436
Base-Backbone interact. energy: -0.658
local terms energy: -161.550519
where:
bonds (distance) C4'-P energy: -48.357
bonds (distance) P-C4' energy: -48.022
flat angles C4'-P-C4' energy: -41.086
flat angles P-C4'-P energy: -29.901
tors. eta vs tors. theta energy: 5.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -903.651783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.651783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.651783 (E_RNA)
where:
Base-Base interactions energy: -617.788
where: short stacking energy: -266.784
Base-Backbone interact. energy: -0.915
local terms energy: -284.949568
where:
bonds (distance) C4'-P energy: -59.605
bonds (distance) P-C4' energy: -54.612
flat angles C4'-P-C4' energy: -57.122
flat angles P-C4'-P energy: -42.827
tors. eta vs tors. theta energy: -70.784
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: 2, replica: 2
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -896.814878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.814878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.814878 (E_RNA)
where:
Base-Base interactions energy: -624.964
where: short stacking energy: -275.675
Base-Backbone interact. energy: -1.245
local terms energy: -270.606050
where:
bonds (distance) C4'-P energy: -56.561
bonds (distance) P-C4' energy: -41.748
flat angles C4'-P-C4' energy: -61.924
flat angles P-C4'-P energy: -30.819
tors. eta vs tors. theta energy: -79.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -828.472506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.472506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.472506 (E_RNA)
where:
Base-Base interactions energy: -575.887
where: short stacking energy: -258.427
Base-Backbone interact. energy: 0.101
local terms energy: -252.686380
where:
bonds (distance) C4'-P energy: -53.965
bonds (distance) P-C4' energy: -41.320
flat angles C4'-P-C4' energy: -48.936
flat angles P-C4'-P energy: -36.729
tors. eta vs tors. theta energy: -71.736
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: 7
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -784.699681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.699681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.699681 (E_RNA)
where:
Base-Base interactions energy: -525.733
where: short stacking energy: -235.309
Base-Backbone interact. energy: -1.745
local terms energy: -257.221288
where:
bonds (distance) C4'-P energy: -46.123
bonds (distance) P-C4' energy: -57.133
flat angles C4'-P-C4' energy: -62.200
flat angles P-C4'-P energy: -29.393
tors. eta vs tors. theta energy: -62.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -719.888752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.888752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.888752 (E_RNA)
where:
Base-Base interactions energy: -473.804
where: short stacking energy: -210.732
Base-Backbone interact. energy: -0.398
local terms energy: -245.686948
where:
bonds (distance) C4'-P energy: -40.420
bonds (distance) P-C4' energy: -55.086
flat angles C4'-P-C4' energy: -54.894
flat angles P-C4'-P energy: -45.023
tors. eta vs tors. theta energy: -50.263
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: 8
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -637.042178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.042178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.042178 (E_RNA)
where:
Base-Base interactions energy: -428.291
where: short stacking energy: -196.757
Base-Backbone interact. energy: 0.948
local terms energy: -209.698757
where:
bonds (distance) C4'-P energy: -49.904
bonds (distance) P-C4' energy: -48.181
flat angles C4'-P-C4' energy: -45.546
flat angles P-C4'-P energy: -23.271
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: 7, replica: 4
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -587.999085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.999085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.999085 (E_RNA)
where:
Base-Base interactions energy: -387.104
where: short stacking energy: -176.279
Base-Backbone interact. energy: -1.083
local terms energy: -199.812088
where:
bonds (distance) C4'-P energy: -42.728
bonds (distance) P-C4' energy: -43.851
flat angles C4'-P-C4' energy: -48.769
flat angles P-C4'-P energy: -34.253
tors. eta vs tors. theta energy: -30.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -470.633563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.633563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.633563 (E_RNA)
where:
Base-Base interactions energy: -301.084
where: short stacking energy: -142.372
Base-Backbone interact. energy: -0.917
local terms energy: -168.631891
where:
bonds (distance) C4'-P energy: -53.372
bonds (distance) P-C4' energy: -37.640
flat angles C4'-P-C4' energy: -28.592
flat angles P-C4'-P energy: -26.256
tors. eta vs tors. theta energy: -22.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -534.886453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.886453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.886453 (E_RNA)
where:
Base-Base interactions energy: -348.812
where: short stacking energy: -138.493
Base-Backbone interact. energy: -1.094
local terms energy: -184.980609
where:
bonds (distance) C4'-P energy: -37.707
bonds (distance) P-C4' energy: -43.892
flat angles C4'-P-C4' energy: -56.028
flat angles P-C4'-P energy: -31.603
tors. eta vs tors. theta energy: -15.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -288.503419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.503419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.503419 (E_RNA)
where:
Base-Base interactions energy: -145.453
where: short stacking energy: -79.708
Base-Backbone interact. energy: -1.013
local terms energy: -142.038103
where:
bonds (distance) C4'-P energy: -32.557
bonds (distance) P-C4' energy: -48.723
flat angles C4'-P-C4' energy: -38.529
flat angles P-C4'-P energy: -21.393
tors. eta vs tors. theta energy: -0.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -895.968833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.968833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.968833 (E_RNA)
where:
Base-Base interactions energy: -618.072
where: short stacking energy: -259.045
Base-Backbone interact. energy: -0.548
local terms energy: -277.348909
where:
bonds (distance) C4'-P energy: -49.503
bonds (distance) P-C4' energy: -54.711
flat angles C4'-P-C4' energy: -58.288
flat angles P-C4'-P energy: -38.973
tors. eta vs tors. theta energy: -75.874
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: 2
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -893.884307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.884307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.884307 (E_RNA)
where:
Base-Base interactions energy: -611.189
where: short stacking energy: -271.966
Base-Backbone interact. energy: 0.208
local terms energy: -282.903237
where:
bonds (distance) C4'-P energy: -62.433
bonds (distance) P-C4' energy: -56.494
flat angles C4'-P-C4' energy: -62.119
flat angles P-C4'-P energy: -32.676
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: 3, replica: 5
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -818.502458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.502458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.502458 (E_RNA)
where:
Base-Base interactions energy: -568.797
where: short stacking energy: -257.548
Base-Backbone interact. energy: -1.942
local terms energy: -247.762860
where:
bonds (distance) C4'-P energy: -43.750
bonds (distance) P-C4' energy: -38.341
flat angles C4'-P-C4' energy: -58.195
flat angles P-C4'-P energy: -41.045
tors. eta vs tors. theta energy: -66.433
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: 7
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -789.616429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.616429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.616429 (E_RNA)
where:
Base-Base interactions energy: -535.229
where: short stacking energy: -236.026
Base-Backbone interact. energy: -1.708
local terms energy: -252.679788
where:
bonds (distance) C4'-P energy: -48.667
bonds (distance) P-C4' energy: -49.414
flat angles C4'-P-C4' energy: -49.196
flat angles P-C4'-P energy: -33.812
tors. eta vs tors. theta energy: -71.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -739.486829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.486829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.486829 (E_RNA)
where:
Base-Base interactions energy: -494.181
where: short stacking energy: -224.093
Base-Backbone interact. energy: -1.470
local terms energy: -243.835084
where:
bonds (distance) C4'-P energy: -42.710
bonds (distance) P-C4' energy: -47.726
flat angles C4'-P-C4' energy: -49.080
flat angles P-C4'-P energy: -35.570
tors. eta vs tors. theta energy: -68.749
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: 8
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -618.546677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.546677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.546677 (E_RNA)
where:
Base-Base interactions energy: -404.013
where: short stacking energy: -176.471
Base-Backbone interact. energy: -1.970
local terms energy: -212.563947
where:
bonds (distance) C4'-P energy: -44.342
bonds (distance) P-C4' energy: -51.045
flat angles C4'-P-C4' energy: -50.223
flat angles P-C4'-P energy: -26.835
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: 7, replica: 4
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -614.947776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.947776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.947776 (E_RNA)
where:
Base-Base interactions energy: -413.514
where: short stacking energy: -172.204
Base-Backbone interact. energy: -0.520
local terms energy: -200.913069
where:
bonds (distance) C4'-P energy: -41.109
bonds (distance) P-C4' energy: -46.457
flat angles C4'-P-C4' energy: -39.967
flat angles P-C4'-P energy: -32.320
tors. eta vs tors. theta energy: -41.060
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: 9
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -489.198382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.198382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.198382 (E_RNA)
where:
Base-Base interactions energy: -306.051
where: short stacking energy: -142.944
Base-Backbone interact. energy: -0.724
local terms energy: -182.423391
where:
bonds (distance) C4'-P energy: -36.422
bonds (distance) P-C4' energy: -50.316
flat angles C4'-P-C4' energy: -37.140
flat angles P-C4'-P energy: -32.581
tors. eta vs tors. theta energy: -25.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -524.826425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.826425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.826425 (E_RNA)
where:
Base-Base interactions energy: -341.595
where: short stacking energy: -147.104
Base-Backbone interact. energy: 0.029
local terms energy: -183.260427
where:
bonds (distance) C4'-P energy: -38.637
bonds (distance) P-C4' energy: -49.375
flat angles C4'-P-C4' energy: -31.568
flat angles P-C4'-P energy: -31.241
tors. eta vs tors. theta energy: -32.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -317.683756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.683756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.683756 (E_RNA)
where:
Base-Base interactions energy: -165.573
where: short stacking energy: -90.575
Base-Backbone interact. energy: 0.269
local terms energy: -152.379705
where:
bonds (distance) C4'-P energy: -45.351
bonds (distance) P-C4' energy: -41.434
flat angles C4'-P-C4' energy: -37.996
flat angles P-C4'-P energy: -23.610
tors. eta vs tors. theta energy: -3.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -912.062815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.062815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.062815 (E_RNA)
where:
Base-Base interactions energy: -621.060
where: short stacking energy: -276.601
Base-Backbone interact. energy: -1.683
local terms energy: -289.319336
where:
bonds (distance) C4'-P energy: -53.778
bonds (distance) P-C4' energy: -56.390
flat angles C4'-P-C4' energy: -57.751
flat angles P-C4'-P energy: -41.958
tors. eta vs tors. theta energy: -79.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -876.486977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.486977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.486977 (E_RNA)
where:
Base-Base interactions energy: -617.486
where: short stacking energy: -263.693
Base-Backbone interact. energy: 0.727
local terms energy: -259.727621
where:
bonds (distance) C4'-P energy: -51.524
bonds (distance) P-C4' energy: -44.389
flat angles C4'-P-C4' energy: -49.710
flat angles P-C4'-P energy: -34.614
tors. eta vs tors. theta energy: -79.492
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: 483
Temperature: 1.000000
Total energy: -836.502453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.502453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.502453 (E_RNA)
where:
Base-Base interactions energy: -560.925
where: short stacking energy: -242.333
Base-Backbone interact. energy: -1.276
local terms energy: -274.301126
where:
bonds (distance) C4'-P energy: -49.483
bonds (distance) P-C4' energy: -55.839
flat angles C4'-P-C4' energy: -55.814
flat angles P-C4'-P energy: -44.721
tors. eta vs tors. theta energy: -68.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -763.684865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.684865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.684865 (E_RNA)
where:
Base-Base interactions energy: -499.572
where: short stacking energy: -223.888
Base-Backbone interact. energy: -0.205
local terms energy: -263.907643
where:
bonds (distance) C4'-P energy: -55.440
bonds (distance) P-C4' energy: -44.544
flat angles C4'-P-C4' energy: -57.715
flat angles P-C4'-P energy: -40.390
tors. eta vs tors. theta energy: -65.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -782.476965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.476965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.476965 (E_RNA)
where:
Base-Base interactions energy: -533.068
where: short stacking energy: -240.279
Base-Backbone interact. energy: -1.034
local terms energy: -248.374393
where:
bonds (distance) C4'-P energy: -47.775
bonds (distance) P-C4' energy: -55.217
flat angles C4'-P-C4' energy: -52.007
flat angles P-C4'-P energy: -31.429
tors. eta vs tors. theta energy: -61.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -670.735481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.735481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.735481 (E_RNA)
where:
Base-Base interactions energy: -458.048
where: short stacking energy: -195.768
Base-Backbone interact. energy: 2.157
local terms energy: -214.844185
where:
bonds (distance) C4'-P energy: -50.407
bonds (distance) P-C4' energy: -42.439
flat angles C4'-P-C4' energy: -42.300
flat angles P-C4'-P energy: -31.534
tors. eta vs tors. theta energy: -48.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -618.767316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.767316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.767316 (E_RNA)
where:
Base-Base interactions energy: -407.388
where: short stacking energy: -200.294
Base-Backbone interact. energy: -0.436
local terms energy: -210.943023
where:
bonds (distance) C4'-P energy: -32.556
bonds (distance) P-C4' energy: -48.733
flat angles C4'-P-C4' energy: -43.416
flat angles P-C4'-P energy: -32.285
tors. eta vs tors. theta energy: -53.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -461.071847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.071847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.071847 (E_RNA)
where:
Base-Base interactions energy: -274.251
where: short stacking energy: -124.006
Base-Backbone interact. energy: -1.407
local terms energy: -185.413605
where:
bonds (distance) C4'-P energy: -38.114
bonds (distance) P-C4' energy: -49.315
flat angles C4'-P-C4' energy: -57.049
flat angles P-C4'-P energy: -28.536
tors. eta vs tors. theta energy: -12.399
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: 9, replica: 9
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -462.870242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.870242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.870242 (E_RNA)
where:
Base-Base interactions energy: -278.218
where: short stacking energy: -140.374
Base-Backbone interact. energy: 0.234
local terms energy: -184.885900
where:
bonds (distance) C4'-P energy: -47.243
bonds (distance) P-C4' energy: -34.910
flat angles C4'-P-C4' energy: -40.536
flat angles P-C4'-P energy: -36.707
tors. eta vs tors. theta energy: -25.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -288.140659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.140659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.140659 (E_RNA)
where:
Base-Base interactions energy: -138.510
where: short stacking energy: -71.179
Base-Backbone interact. energy: 4.431
local terms energy: -154.061337
where:
bonds (distance) C4'-P energy: -40.384
bonds (distance) P-C4' energy: -44.029
flat angles C4'-P-C4' energy: -40.320
flat angles P-C4'-P energy: -26.194
tors. eta vs tors. theta energy: -3.135
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: 484
Temperature: 0.900000
Total energy: -928.677054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.677054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.677054 (E_RNA)
where:
Base-Base interactions energy: -631.897
where: short stacking energy: -285.449
Base-Backbone interact. energy: -0.278
local terms energy: -296.501810
where:
bonds (distance) C4'-P energy: -47.631
bonds (distance) P-C4' energy: -58.886
flat angles C4'-P-C4' energy: -61.925
flat angles P-C4'-P energy: -41.570
tors. eta vs tors. theta energy: -86.489
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: 3
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -871.619809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.619809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.619809 (E_RNA)
where:
Base-Base interactions energy: -592.532
where: short stacking energy: -263.600
Base-Backbone interact. energy: -1.642
local terms energy: -277.445730
where:
bonds (distance) C4'-P energy: -52.869
bonds (distance) P-C4' energy: -56.739
flat angles C4'-P-C4' energy: -54.121
flat angles P-C4'-P energy: -36.393
tors. eta vs tors. theta energy: -77.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -830.120767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.120767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.120767 (E_RNA)
where:
Base-Base interactions energy: -554.209
where: short stacking energy: -249.463
Base-Backbone interact. energy: -0.704
local terms energy: -275.207987
where:
bonds (distance) C4'-P energy: -49.392
bonds (distance) P-C4' energy: -50.759
flat angles C4'-P-C4' energy: -60.379
flat angles P-C4'-P energy: -41.455
tors. eta vs tors. theta energy: -73.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -787.617645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.617645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.617645 (E_RNA)
where:
Base-Base interactions energy: -532.424
where: short stacking energy: -252.963
Base-Backbone interact. energy: -0.118
local terms energy: -255.075394
where:
bonds (distance) C4'-P energy: -45.095
bonds (distance) P-C4' energy: -45.133
flat angles C4'-P-C4' energy: -54.702
flat angles P-C4'-P energy: -35.866
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: 5, replica: 4
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -726.781666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.781666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.781666 (E_RNA)
where:
Base-Base interactions energy: -497.406
where: short stacking energy: -229.347
Base-Backbone interact. energy: 0.456
local terms energy: -229.831390
where:
bonds (distance) C4'-P energy: -42.635
bonds (distance) P-C4' energy: -48.009
flat angles C4'-P-C4' energy: -58.486
flat angles P-C4'-P energy: -23.939
tors. eta vs tors. theta energy: -56.764
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: 7
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -713.815670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.815670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.815670 (E_RNA)
where:
Base-Base interactions energy: -498.633
where: short stacking energy: -200.951
Base-Backbone interact. energy: -0.040
local terms energy: -215.142465
where:
bonds (distance) C4'-P energy: -42.122
bonds (distance) P-C4' energy: -42.313
flat angles C4'-P-C4' energy: -48.040
flat angles P-C4'-P energy: -33.049
tors. eta vs tors. theta energy: -49.619
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: 8
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -596.981723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.981723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.981723 (E_RNA)
where:
Base-Base interactions energy: -389.764
where: short stacking energy: -177.724
Base-Backbone interact. energy: -0.609
local terms energy: -206.608818
where:
bonds (distance) C4'-P energy: -38.043
bonds (distance) P-C4' energy: -46.712
flat angles C4'-P-C4' energy: -50.018
flat angles P-C4'-P energy: -29.110
tors. eta vs tors. theta energy: -42.725
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: 8, replica: 1
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -504.248290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.248290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.248290 (E_RNA)
where:
Base-Base interactions energy: -313.465
where: short stacking energy: -153.908
Base-Backbone interact. energy: -1.236
local terms energy: -189.547468
where:
bonds (distance) C4'-P energy: -52.955
bonds (distance) P-C4' energy: -45.714
flat angles C4'-P-C4' energy: -39.680
flat angles P-C4'-P energy: -33.757
tors. eta vs tors. theta energy: -17.441
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: 9
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -448.091058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.091058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.091058 (E_RNA)
where:
Base-Base interactions energy: -269.400
where: short stacking energy: -120.526
Base-Backbone interact. energy: -0.959
local terms energy: -177.732780
where:
bonds (distance) C4'-P energy: -44.811
bonds (distance) P-C4' energy: -41.811
flat angles C4'-P-C4' energy: -48.081
flat angles P-C4'-P energy: -30.124
tors. eta vs tors. theta energy: -12.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -267.609877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.609877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.609877 (E_RNA)
where:
Base-Base interactions energy: -116.134
where: short stacking energy: -61.521
Base-Backbone interact. energy: 0.050
local terms energy: -151.525716
where:
bonds (distance) C4'-P energy: -47.441
bonds (distance) P-C4' energy: -50.083
flat angles C4'-P-C4' energy: -41.382
flat angles P-C4'-P energy: -21.140
tors. eta vs tors. theta energy: 8.520
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: 485
Temperature: 0.900000
Total energy: -901.389097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.389097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.389097 (E_RNA)
where:
Base-Base interactions energy: -617.051
where: short stacking energy: -268.917
Base-Backbone interact. energy: -0.557
local terms energy: -283.780948
where:
bonds (distance) C4'-P energy: -46.734
bonds (distance) P-C4' energy: -59.776
flat angles C4'-P-C4' energy: -64.241
flat angles P-C4'-P energy: -33.166
tors. eta vs tors. theta energy: -79.864
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: 3
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -871.853412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.853412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.853412 (E_RNA)
where:
Base-Base interactions energy: -618.204
where: short stacking energy: -266.611
Base-Backbone interact. energy: -0.879
local terms energy: -252.770318
where:
bonds (distance) C4'-P energy: -50.322
bonds (distance) P-C4' energy: -41.602
flat angles C4'-P-C4' energy: -55.084
flat angles P-C4'-P energy: -37.374
tors. eta vs tors. theta energy: -68.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -826.294769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.294769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.294769 (E_RNA)
where:
Base-Base interactions energy: -572.804
where: short stacking energy: -237.580
Base-Backbone interact. energy: -0.331
local terms energy: -253.159061
where:
bonds (distance) C4'-P energy: -41.896
bonds (distance) P-C4' energy: -52.658
flat angles C4'-P-C4' energy: -52.352
flat angles P-C4'-P energy: -41.659
tors. eta vs tors. theta energy: -64.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -770.481053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.481053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.481053 (E_RNA)
where:
Base-Base interactions energy: -522.449
where: short stacking energy: -242.658
Base-Backbone interact. energy: -0.876
local terms energy: -247.155735
where:
bonds (distance) C4'-P energy: -40.379
bonds (distance) P-C4' energy: -48.619
flat angles C4'-P-C4' energy: -56.802
flat angles P-C4'-P energy: -32.033
tors. eta vs tors. theta energy: -69.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -701.985971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.985971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.985971 (E_RNA)
where:
Base-Base interactions energy: -460.385
where: short stacking energy: -216.454
Base-Backbone interact. energy: -1.150
local terms energy: -240.450808
where:
bonds (distance) C4'-P energy: -53.144
bonds (distance) P-C4' energy: -44.171
flat angles C4'-P-C4' energy: -50.550
flat angles P-C4'-P energy: -38.724
tors. eta vs tors. theta energy: -53.861
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: 7
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -652.692195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.692195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.692195 (E_RNA)
where:
Base-Base interactions energy: -429.341
where: short stacking energy: -176.622
Base-Backbone interact. energy: -0.695
local terms energy: -222.656235
where:
bonds (distance) C4'-P energy: -40.942
bonds (distance) P-C4' energy: -44.279
flat angles C4'-P-C4' energy: -54.805
flat angles P-C4'-P energy: -37.107
tors. eta vs tors. theta energy: -45.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -576.156431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.156431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.156431 (E_RNA)
where:
Base-Base interactions energy: -363.329
where: short stacking energy: -152.575
Base-Backbone interact. energy: 1.079
local terms energy: -213.906774
where:
bonds (distance) C4'-P energy: -43.287
bonds (distance) P-C4' energy: -49.459
flat angles C4'-P-C4' energy: -51.641
flat angles P-C4'-P energy: -37.663
tors. eta vs tors. theta energy: -31.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -504.364527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.364527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.364527 (E_RNA)
where:
Base-Base interactions energy: -319.430
where: short stacking energy: -147.557
Base-Backbone interact. energy: -1.156
local terms energy: -183.777910
where:
bonds (distance) C4'-P energy: -44.045
bonds (distance) P-C4' energy: -45.973
flat angles C4'-P-C4' energy: -44.163
flat angles P-C4'-P energy: -18.590
tors. eta vs tors. theta energy: -31.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -472.686797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.686797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.686797 (E_RNA)
where:
Base-Base interactions energy: -281.871
where: short stacking energy: -132.535
Base-Backbone interact. energy: -0.070
local terms energy: -190.745569
where:
bonds (distance) C4'-P energy: -54.296
bonds (distance) P-C4' energy: -48.583
flat angles C4'-P-C4' energy: -37.377
flat angles P-C4'-P energy: -28.534
tors. eta vs tors. theta energy: -21.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -285.020224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.020224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.020224 (E_RNA)
where:
Base-Base interactions energy: -141.646
where: short stacking energy: -68.967
Base-Backbone interact. energy: -1.390
local terms energy: -141.983731
where:
bonds (distance) C4'-P energy: -42.862
bonds (distance) P-C4' energy: -46.679
flat angles C4'-P-C4' energy: -35.045
flat angles P-C4'-P energy: -20.381
tors. eta vs tors. theta energy: 2.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -895.051912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.051912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.051912 (E_RNA)
where:
Base-Base interactions energy: -613.877
where: short stacking energy: -265.333
Base-Backbone interact. energy: -1.295
local terms energy: -279.880199
where:
bonds (distance) C4'-P energy: -45.042
bonds (distance) P-C4' energy: -54.851
flat angles C4'-P-C4' energy: -59.002
flat angles P-C4'-P energy: -43.086
tors. eta vs tors. theta energy: -77.901
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: 2, replica: 2
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -896.079941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.079941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.079941 (E_RNA)
where:
Base-Base interactions energy: -628.772
where: short stacking energy: -275.104
Base-Backbone interact. energy: 0.279
local terms energy: -267.587163
where:
bonds (distance) C4'-P energy: -49.181
bonds (distance) P-C4' energy: -43.452
flat angles C4'-P-C4' energy: -62.387
flat angles P-C4'-P energy: -35.073
tors. eta vs tors. theta energy: -77.495
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: 5
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -847.967844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.967844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.967844 (E_RNA)
where:
Base-Base interactions energy: -590.548
where: short stacking energy: -253.221
Base-Backbone interact. energy: -1.006
local terms energy: -256.413601
where:
bonds (distance) C4'-P energy: -46.189
bonds (distance) P-C4' energy: -48.188
flat angles C4'-P-C4' energy: -55.781
flat angles P-C4'-P energy: -41.438
tors. eta vs tors. theta energy: -64.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -782.814223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.814223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.814223 (E_RNA)
where:
Base-Base interactions energy: -531.130
where: short stacking energy: -244.017
Base-Backbone interact. energy: -0.779
local terms energy: -250.905572
where:
bonds (distance) C4'-P energy: -50.094
bonds (distance) P-C4' energy: -45.038
flat angles C4'-P-C4' energy: -57.897
flat angles P-C4'-P energy: -32.057
tors. eta vs tors. theta energy: -65.818
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: 4
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -710.707055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.707055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.707055 (E_RNA)
where:
Base-Base interactions energy: -467.803
where: short stacking energy: -199.261
Base-Backbone interact. energy: -1.852
local terms energy: -241.051668
where:
bonds (distance) C4'-P energy: -49.072
bonds (distance) P-C4' energy: -55.186
flat angles C4'-P-C4' energy: -61.802
flat angles P-C4'-P energy: -28.600
tors. eta vs tors. theta energy: -46.392
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: 7
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -673.264730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.264730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.264730 (E_RNA)
where:
Base-Base interactions energy: -449.991
where: short stacking energy: -201.534
Base-Backbone interact. energy: -1.013
local terms energy: -222.260999
where:
bonds (distance) C4'-P energy: -40.327
bonds (distance) P-C4' energy: -54.075
flat angles C4'-P-C4' energy: -52.078
flat angles P-C4'-P energy: -36.061
tors. eta vs tors. theta energy: -39.721
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: 8
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -615.734751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.734751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.734751 (E_RNA)
where:
Base-Base interactions energy: -405.522
where: short stacking energy: -186.704
Base-Backbone interact. energy: -0.911
local terms energy: -209.301730
where:
bonds (distance) C4'-P energy: -42.393
bonds (distance) P-C4' energy: -39.019
flat angles C4'-P-C4' energy: -48.107
flat angles P-C4'-P energy: -35.319
tors. eta vs tors. theta energy: -44.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -548.585533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.585533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.585533 (E_RNA)
where:
Base-Base interactions energy: -343.209
where: short stacking energy: -149.755
Base-Backbone interact. energy: -2.578
local terms energy: -202.798684
where:
bonds (distance) C4'-P energy: -42.241
bonds (distance) P-C4' energy: -46.845
flat angles C4'-P-C4' energy: -54.675
flat angles P-C4'-P energy: -25.376
tors. eta vs tors. theta energy: -33.662
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: 9, replica: 9
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -461.364567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.364567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.364567 (E_RNA)
where:
Base-Base interactions energy: -282.506
where: short stacking energy: -130.151
Base-Backbone interact. energy: -0.098
local terms energy: -178.761114
where:
bonds (distance) C4'-P energy: -41.795
bonds (distance) P-C4' energy: -48.076
flat angles C4'-P-C4' energy: -46.491
flat angles P-C4'-P energy: -22.947
tors. eta vs tors. theta energy: -19.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -302.011985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.011985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.011985 (E_RNA)
where:
Base-Base interactions energy: -158.846
where: short stacking energy: -114.275
Base-Backbone interact. energy: -0.897
local terms energy: -142.269142
where:
bonds (distance) C4'-P energy: -38.113
bonds (distance) P-C4' energy: -39.538
flat angles C4'-P-C4' energy: -31.124
flat angles P-C4'-P energy: -14.495
tors. eta vs tors. theta energy: -18.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -893.073633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.073633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.073633 (E_RNA)
where:
Base-Base interactions energy: -612.705
where: short stacking energy: -267.066
Base-Backbone interact. energy: -1.603
local terms energy: -278.765767
where:
bonds (distance) C4'-P energy: -48.160
bonds (distance) P-C4' energy: -57.498
flat angles C4'-P-C4' energy: -62.776
flat angles P-C4'-P energy: -40.044
tors. eta vs tors. theta energy: -70.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -894.189845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.189845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.189845 (E_RNA)
where:
Base-Base interactions energy: -608.877
where: short stacking energy: -266.631
Base-Backbone interact. energy: 0.450
local terms energy: -285.763166
where:
bonds (distance) C4'-P energy: -56.576
bonds (distance) P-C4' energy: -58.499
flat angles C4'-P-C4' energy: -55.692
flat angles P-C4'-P energy: -35.903
tors. eta vs tors. theta energy: -79.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -824.572266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.572266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.572266 (E_RNA)
where:
Base-Base interactions energy: -566.924
where: short stacking energy: -227.102
Base-Backbone interact. energy: 0.055
local terms energy: -257.703778
where:
bonds (distance) C4'-P energy: -45.193
bonds (distance) P-C4' energy: -57.392
flat angles C4'-P-C4' energy: -57.753
flat angles P-C4'-P energy: -39.767
tors. eta vs tors. theta energy: -57.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -797.185430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.185430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.185430 (E_RNA)
where:
Base-Base interactions energy: -533.800
where: short stacking energy: -241.122
Base-Backbone interact. energy: 0.633
local terms energy: -264.018915
where:
bonds (distance) C4'-P energy: -51.499
bonds (distance) P-C4' energy: -45.086
flat angles C4'-P-C4' energy: -59.018
flat angles P-C4'-P energy: -36.508
tors. eta vs tors. theta energy: -71.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -702.047337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.047337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.047337 (E_RNA)
where:
Base-Base interactions energy: -482.998
where: short stacking energy: -227.642
Base-Backbone interact. energy: -1.368
local terms energy: -217.681804
where:
bonds (distance) C4'-P energy: -42.605
bonds (distance) P-C4' energy: -46.490
flat angles C4'-P-C4' energy: -44.314
flat angles P-C4'-P energy: -27.758
tors. eta vs tors. theta energy: -56.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -620.735303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.735303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.735303 (E_RNA)
where:
Base-Base interactions energy: -394.121
where: short stacking energy: -168.253
Base-Backbone interact. energy: -1.366
local terms energy: -225.248141
where:
bonds (distance) C4'-P energy: -48.219
bonds (distance) P-C4' energy: -49.391
flat angles C4'-P-C4' energy: -54.660
flat angles P-C4'-P energy: -38.348
tors. eta vs tors. theta energy: -34.630
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: 7
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -656.869539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.869539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.869539 (E_RNA)
where:
Base-Base interactions energy: -449.263
where: short stacking energy: -186.943
Base-Backbone interact. energy: 1.149
local terms energy: -208.755040
where:
bonds (distance) C4'-P energy: -40.085
bonds (distance) P-C4' energy: -45.078
flat angles C4'-P-C4' energy: -55.351
flat angles P-C4'-P energy: -35.727
tors. eta vs tors. theta energy: -32.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -502.984881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.984881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.984881 (E_RNA)
where:
Base-Base interactions energy: -327.036
where: short stacking energy: -146.079
Base-Backbone interact. energy: 0.810
local terms energy: -176.758876
where:
bonds (distance) C4'-P energy: -41.331
bonds (distance) P-C4' energy: -36.027
flat angles C4'-P-C4' energy: -42.837
flat angles P-C4'-P energy: -30.380
tors. eta vs tors. theta energy: -26.183
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: 9
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -463.702538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.702538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.702538 (E_RNA)
where:
Base-Base interactions energy: -286.210
where: short stacking energy: -134.994
Base-Backbone interact. energy: 0.255
local terms energy: -177.747538
where:
bonds (distance) C4'-P energy: -40.280
bonds (distance) P-C4' energy: -47.742
flat angles C4'-P-C4' energy: -44.498
flat angles P-C4'-P energy: -18.800
tors. eta vs tors. theta energy: -26.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -268.408210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.408210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.408210 (E_RNA)
where:
Base-Base interactions energy: -142.794
where: short stacking energy: -92.701
Base-Backbone interact. energy: 1.947
local terms energy: -127.561311
where:
bonds (distance) C4'-P energy: -39.898
bonds (distance) P-C4' energy: -41.362
flat angles C4'-P-C4' energy: -31.492
flat angles P-C4'-P energy: -16.028
tors. eta vs tors. theta energy: 1.219
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: 488
Temperature: 0.900000
Total energy: -891.427278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.427278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.427278 (E_RNA)
where:
Base-Base interactions energy: -603.554
where: short stacking energy: -273.627
Base-Backbone interact. energy: 1.251
local terms energy: -289.124774
where:
bonds (distance) C4'-P energy: -50.267
bonds (distance) P-C4' energy: -50.311
flat angles C4'-P-C4' energy: -58.629
flat angles P-C4'-P energy: -46.020
tors. eta vs tors. theta energy: -83.898
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: 3
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -879.432596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.432596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.432596 (E_RNA)
where:
Base-Base interactions energy: -600.166
where: short stacking energy: -272.818
Base-Backbone interact. energy: 2.524
local terms energy: -281.791056
where:
bonds (distance) C4'-P energy: -53.530
bonds (distance) P-C4' energy: -49.811
flat angles C4'-P-C4' energy: -61.594
flat angles P-C4'-P energy: -38.373
tors. eta vs tors. theta energy: -78.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -798.888007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.888007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.888007 (E_RNA)
where:
Base-Base interactions energy: -542.456
where: short stacking energy: -243.491
Base-Backbone interact. energy: -1.657
local terms energy: -254.774697
where:
bonds (distance) C4'-P energy: -48.796
bonds (distance) P-C4' energy: -59.122
flat angles C4'-P-C4' energy: -51.580
flat angles P-C4'-P energy: -32.801
tors. eta vs tors. theta energy: -62.475
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: 5
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -827.576731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.576731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.576731 (E_RNA)
where:
Base-Base interactions energy: -571.886
where: short stacking energy: -227.538
Base-Backbone interact. energy: -3.043
local terms energy: -252.647970
where:
bonds (distance) C4'-P energy: -43.476
bonds (distance) P-C4' energy: -48.571
flat angles C4'-P-C4' energy: -59.564
flat angles P-C4'-P energy: -40.448
tors. eta vs tors. theta energy: -60.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -742.375669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.375669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.375669 (E_RNA)
where:
Base-Base interactions energy: -485.277
where: short stacking energy: -213.162
Base-Backbone interact. energy: -0.566
local terms energy: -256.533091
where:
bonds (distance) C4'-P energy: -52.006
bonds (distance) P-C4' energy: -52.422
flat angles C4'-P-C4' energy: -51.579
flat angles P-C4'-P energy: -39.314
tors. eta vs tors. theta energy: -61.211
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: 8
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -605.331674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.331674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.331674 (E_RNA)
where:
Base-Base interactions energy: -382.828
where: short stacking energy: -175.653
Base-Backbone interact. energy: -1.057
local terms energy: -221.446732
where:
bonds (distance) C4'-P energy: -43.477
bonds (distance) P-C4' energy: -55.206
flat angles C4'-P-C4' energy: -52.128
flat angles P-C4'-P energy: -27.508
tors. eta vs tors. theta energy: -43.128
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: 7, replica: 7
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -719.333191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.333191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.333191 (E_RNA)
where:
Base-Base interactions energy: -499.738
where: short stacking energy: -210.632
Base-Backbone interact. energy: -0.149
local terms energy: -219.445768
where:
bonds (distance) C4'-P energy: -38.826
bonds (distance) P-C4' energy: -53.554
flat angles C4'-P-C4' energy: -38.858
flat angles P-C4'-P energy: -28.804
tors. eta vs tors. theta energy: -59.404
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: 1
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -544.088105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.088105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.088105 (E_RNA)
where:
Base-Base interactions energy: -337.797
where: short stacking energy: -158.225
Base-Backbone interact. energy: -0.283
local terms energy: -206.007416
where:
bonds (distance) C4'-P energy: -42.540
bonds (distance) P-C4' energy: -51.006
flat angles C4'-P-C4' energy: -38.333
flat angles P-C4'-P energy: -37.653
tors. eta vs tors. theta energy: -36.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -442.535243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.535243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.535243 (E_RNA)
where:
Base-Base interactions energy: -262.891
where: short stacking energy: -129.419
Base-Backbone interact. energy: -1.163
local terms energy: -178.480749
where:
bonds (distance) C4'-P energy: -49.363
bonds (distance) P-C4' energy: -38.340
flat angles C4'-P-C4' energy: -41.043
flat angles P-C4'-P energy: -26.672
tors. eta vs tors. theta energy: -23.063
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: 10, replica: 10
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -316.795080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.795080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.795080 (E_RNA)
where:
Base-Base interactions energy: -164.306
where: short stacking energy: -88.480
Base-Backbone interact. energy: 0.417
local terms energy: -152.906429
where:
bonds (distance) C4'-P energy: -32.740
bonds (distance) P-C4' energy: -51.461
flat angles C4'-P-C4' energy: -43.623
flat angles P-C4'-P energy: -17.514
tors. eta vs tors. theta energy: -7.569
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: 2
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -904.114095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.114095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.114095 (E_RNA)
where:
Base-Base interactions energy: -638.852
where: short stacking energy: -269.294
Base-Backbone interact. energy: -1.100
local terms energy: -264.161415
where:
bonds (distance) C4'-P energy: -46.969
bonds (distance) P-C4' energy: -50.832
flat angles C4'-P-C4' energy: -56.658
flat angles P-C4'-P energy: -35.916
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: 2, replica: 3
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -898.204677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.204677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.204677 (E_RNA)
where:
Base-Base interactions energy: -624.364
where: short stacking energy: -273.674
Base-Backbone interact. energy: -0.605
local terms energy: -273.234842
where:
bonds (distance) C4'-P energy: -47.398
bonds (distance) P-C4' energy: -51.520
flat angles C4'-P-C4' energy: -61.730
flat angles P-C4'-P energy: -35.440
tors. eta vs tors. theta energy: -77.147
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: 6
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -806.729362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.729362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.729362 (E_RNA)
where:
Base-Base interactions energy: -560.793
where: short stacking energy: -251.899
Base-Backbone interact. energy: -0.794
local terms energy: -245.142493
where:
bonds (distance) C4'-P energy: -48.669
bonds (distance) P-C4' energy: -50.322
flat angles C4'-P-C4' energy: -49.507
flat angles P-C4'-P energy: -33.356
tors. eta vs tors. theta energy: -63.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -778.387211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.387211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.387211 (E_RNA)
where:
Base-Base interactions energy: -510.604
where: short stacking energy: -222.424
Base-Backbone interact. energy: 0.252
local terms energy: -268.035014
where:
bonds (distance) C4'-P energy: -52.230
bonds (distance) P-C4' energy: -49.615
flat angles C4'-P-C4' energy: -60.068
flat angles P-C4'-P energy: -40.151
tors. eta vs tors. theta energy: -65.971
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: 5
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -782.787323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.787323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.787323 (E_RNA)
where:
Base-Base interactions energy: -538.590
where: short stacking energy: -231.275
Base-Backbone interact. energy: -0.408
local terms energy: -243.789353
where:
bonds (distance) C4'-P energy: -50.842
bonds (distance) P-C4' energy: -45.491
flat angles C4'-P-C4' energy: -52.531
flat angles P-C4'-P energy: -34.747
tors. eta vs tors. theta energy: -60.178
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: 7
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -671.754733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.754733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.754733 (E_RNA)
where:
Base-Base interactions energy: -461.571
where: short stacking energy: -184.783
Base-Backbone interact. energy: -0.973
local terms energy: -209.210731
where:
bonds (distance) C4'-P energy: -40.072
bonds (distance) P-C4' energy: -49.030
flat angles C4'-P-C4' energy: -52.206
flat angles P-C4'-P energy: -30.318
tors. eta vs tors. theta energy: -37.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -614.792828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.792828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.792828 (E_RNA)
where:
Base-Base interactions energy: -413.032
where: short stacking energy: -174.490
Base-Backbone interact. energy: 1.308
local terms energy: -203.068657
where:
bonds (distance) C4'-P energy: -39.610
bonds (distance) P-C4' energy: -46.160
flat angles C4'-P-C4' energy: -51.481
flat angles P-C4'-P energy: -29.221
tors. eta vs tors. theta energy: -36.597
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: 8, replica: 1
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -565.379126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.379126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.379126 (E_RNA)
where:
Base-Base interactions energy: -376.550
where: short stacking energy: -175.326
Base-Backbone interact. energy: -0.574
local terms energy: -188.254838
where:
bonds (distance) C4'-P energy: -34.036
bonds (distance) P-C4' energy: -42.600
flat angles C4'-P-C4' energy: -43.800
flat angles P-C4'-P energy: -28.203
tors. eta vs tors. theta energy: -39.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -420.353173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.353173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.353173 (E_RNA)
where:
Base-Base interactions energy: -257.248
where: short stacking energy: -123.028
Base-Backbone interact. energy: 1.579
local terms energy: -164.684057
where:
bonds (distance) C4'-P energy: -35.433
bonds (distance) P-C4' energy: -53.096
flat angles C4'-P-C4' energy: -37.753
flat angles P-C4'-P energy: -25.344
tors. eta vs tors. theta energy: -13.057
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: 10
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -272.401151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.401151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.401151 (E_RNA)
where:
Base-Base interactions energy: -134.995
where: short stacking energy: -79.304
Base-Backbone interact. energy: -0.786
local terms energy: -136.620704
where:
bonds (distance) C4'-P energy: -51.701
bonds (distance) P-C4' energy: -50.731
flat angles C4'-P-C4' energy: -14.555
flat angles P-C4'-P energy: -21.764
tors. eta vs tors. theta energy: 2.129
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: 490
Temperature: 0.900000
Total energy: -913.569292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.569292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.569292 (E_RNA)
where:
Base-Base interactions energy: -630.993
where: short stacking energy: -269.739
Base-Backbone interact. energy: 0.491
local terms energy: -283.066580
where:
bonds (distance) C4'-P energy: -45.910
bonds (distance) P-C4' energy: -57.532
flat angles C4'-P-C4' energy: -57.741
flat angles P-C4'-P energy: -44.679
tors. eta vs tors. theta energy: -77.204
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: 3
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -874.383544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.383544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.383544 (E_RNA)
where:
Base-Base interactions energy: -598.559
where: short stacking energy: -251.169
Base-Backbone interact. energy: -0.534
local terms energy: -275.290332
where:
bonds (distance) C4'-P energy: -51.280
bonds (distance) P-C4' energy: -48.373
flat angles C4'-P-C4' energy: -57.750
flat angles P-C4'-P energy: -47.481
tors. eta vs tors. theta energy: -70.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -795.364944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.364944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.364944 (E_RNA)
where:
Base-Base interactions energy: -542.448
where: short stacking energy: -247.914
Base-Backbone interact. energy: 0.018
local terms energy: -252.934336
where:
bonds (distance) C4'-P energy: -51.457
bonds (distance) P-C4' energy: -49.593
flat angles C4'-P-C4' energy: -57.476
flat angles P-C4'-P energy: -38.840
tors. eta vs tors. theta energy: -55.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -765.039036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.039036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.039036 (E_RNA)
where:
Base-Base interactions energy: -494.810
where: short stacking energy: -226.265
Base-Backbone interact. energy: 0.552
local terms energy: -270.781136
where:
bonds (distance) C4'-P energy: -46.908
bonds (distance) P-C4' energy: -60.241
flat angles C4'-P-C4' energy: -56.518
flat angles P-C4'-P energy: -41.475
tors. eta vs tors. theta energy: -65.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -748.055188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.055188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.055188 (E_RNA)
where:
Base-Base interactions energy: -521.323
where: short stacking energy: -233.432
Base-Backbone interact. energy: 0.641
local terms energy: -227.373539
where:
bonds (distance) C4'-P energy: -47.339
bonds (distance) P-C4' energy: -47.445
flat angles C4'-P-C4' energy: -53.548
flat angles P-C4'-P energy: -26.367
tors. eta vs tors. theta energy: -52.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -699.491493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.491493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.491493 (E_RNA)
where:
Base-Base interactions energy: -463.360
where: short stacking energy: -186.036
Base-Backbone interact. energy: -0.569
local terms energy: -235.562855
where:
bonds (distance) C4'-P energy: -55.729
bonds (distance) P-C4' energy: -46.429
flat angles C4'-P-C4' energy: -51.463
flat angles P-C4'-P energy: -34.806
tors. eta vs tors. theta energy: -47.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -595.370203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.370203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.370203 (E_RNA)
where:
Base-Base interactions energy: -375.844
where: short stacking energy: -172.768
Base-Backbone interact. energy: -2.122
local terms energy: -217.404365
where:
bonds (distance) C4'-P energy: -49.906
bonds (distance) P-C4' energy: -43.179
flat angles C4'-P-C4' energy: -49.485
flat angles P-C4'-P energy: -29.029
tors. eta vs tors. theta energy: -45.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -565.965229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.965229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.965229 (E_RNA)
where:
Base-Base interactions energy: -371.995
where: short stacking energy: -173.600
Base-Backbone interact. energy: -0.197
local terms energy: -193.773532
where:
bonds (distance) C4'-P energy: -46.633
bonds (distance) P-C4' energy: -46.987
flat angles C4'-P-C4' energy: -39.118
flat angles P-C4'-P energy: -23.181
tors. eta vs tors. theta energy: -37.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -448.474078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.474078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.474078 (E_RNA)
where:
Base-Base interactions energy: -270.944
where: short stacking energy: -142.756
Base-Backbone interact. energy: -1.331
local terms energy: -176.199615
where:
bonds (distance) C4'-P energy: -45.414
bonds (distance) P-C4' energy: -42.881
flat angles C4'-P-C4' energy: -46.664
flat angles P-C4'-P energy: -20.855
tors. eta vs tors. theta energy: -20.386
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: 10
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -285.933078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.933078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.933078 (E_RNA)
where:
Base-Base interactions energy: -131.932
where: short stacking energy: -67.028
Base-Backbone interact. energy: -0.575
local terms energy: -153.426370
where:
bonds (distance) C4'-P energy: -44.312
bonds (distance) P-C4' energy: -50.192
flat angles C4'-P-C4' energy: -41.068
flat angles P-C4'-P energy: -16.499
tors. eta vs tors. theta energy: -1.355
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: 2
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -921.303807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.303807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.303807 (E_RNA)
where:
Base-Base interactions energy: -636.729
where: short stacking energy: -273.298
Base-Backbone interact. energy: -0.098
local terms energy: -284.477290
where:
bonds (distance) C4'-P energy: -61.646
bonds (distance) P-C4' energy: -42.787
flat angles C4'-P-C4' energy: -54.320
flat angles P-C4'-P energy: -45.025
tors. eta vs tors. theta energy: -80.700
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: 3
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -876.654973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.654973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.654973 (E_RNA)
where:
Base-Base interactions energy: -599.114
where: short stacking energy: -247.086
Base-Backbone interact. energy: -1.509
local terms energy: -276.032215
where:
bonds (distance) C4'-P energy: -54.335
bonds (distance) P-C4' energy: -53.557
flat angles C4'-P-C4' energy: -60.500
flat angles P-C4'-P energy: -39.528
tors. eta vs tors. theta energy: -68.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -787.973467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.973467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.973467 (E_RNA)
where:
Base-Base interactions energy: -545.942
where: short stacking energy: -251.952
Base-Backbone interact. energy: 1.501
local terms energy: -243.531938
where:
bonds (distance) C4'-P energy: -46.928
bonds (distance) P-C4' energy: -41.528
flat angles C4'-P-C4' energy: -50.842
flat angles P-C4'-P energy: -35.636
tors. eta vs tors. theta energy: -68.597
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: 4, replica: 5
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -751.877370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.877370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.877370 (E_RNA)
where:
Base-Base interactions energy: -509.848
where: short stacking energy: -208.074
Base-Backbone interact. energy: -1.011
local terms energy: -241.017949
where:
bonds (distance) C4'-P energy: -55.584
bonds (distance) P-C4' energy: -44.320
flat angles C4'-P-C4' energy: -55.613
flat angles P-C4'-P energy: -34.861
tors. eta vs tors. theta energy: -50.640
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: 4
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -684.449709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.449709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.449709 (E_RNA)
where:
Base-Base interactions energy: -443.083
where: short stacking energy: -206.699
Base-Backbone interact. energy: -1.861
local terms energy: -239.505221
where:
bonds (distance) C4'-P energy: -42.443
bonds (distance) P-C4' energy: -44.948
flat angles C4'-P-C4' energy: -55.157
flat angles P-C4'-P energy: -37.439
tors. eta vs tors. theta energy: -59.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -714.649114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.649114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.649114 (E_RNA)
where:
Base-Base interactions energy: -495.060
where: short stacking energy: -203.895
Base-Backbone interact. energy: 1.004
local terms energy: -220.593095
where:
bonds (distance) C4'-P energy: -41.462
bonds (distance) P-C4' energy: -46.138
flat angles C4'-P-C4' energy: -42.538
flat angles P-C4'-P energy: -37.372
tors. eta vs tors. theta energy: -53.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -627.115411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.115411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.115411 (E_RNA)
where:
Base-Base interactions energy: -413.440
where: short stacking energy: -192.829
Base-Backbone interact. energy: -0.881
local terms energy: -212.794030
where:
bonds (distance) C4'-P energy: -46.679
bonds (distance) P-C4' energy: -47.070
flat angles C4'-P-C4' energy: -48.251
flat angles P-C4'-P energy: -27.765
tors. eta vs tors. theta energy: -43.030
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: 8
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -578.887401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.887401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.887401 (E_RNA)
where:
Base-Base interactions energy: -376.549
where: short stacking energy: -180.418
Base-Backbone interact. energy: 0.213
local terms energy: -202.551045
where:
bonds (distance) C4'-P energy: -35.062
bonds (distance) P-C4' energy: -52.800
flat angles C4'-P-C4' energy: -45.127
flat angles P-C4'-P energy: -20.686
tors. eta vs tors. theta energy: -48.875
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: 9
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -404.318454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.318454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.318454 (E_RNA)
where:
Base-Base interactions energy: -219.562
where: short stacking energy: -90.647
Base-Backbone interact. energy: 0.230
local terms energy: -184.986047
where:
bonds (distance) C4'-P energy: -49.718
bonds (distance) P-C4' energy: -51.815
flat angles C4'-P-C4' energy: -47.565
flat angles P-C4'-P energy: -24.324
tors. eta vs tors. theta energy: -11.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -302.078513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.078513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.078513 (E_RNA)
where:
Base-Base interactions energy: -156.231
where: short stacking energy: -88.855
Base-Backbone interact. energy: -1.619
local terms energy: -144.228943
where:
bonds (distance) C4'-P energy: -37.163
bonds (distance) P-C4' energy: -45.420
flat angles C4'-P-C4' energy: -30.500
flat angles P-C4'-P energy: -29.285
tors. eta vs tors. theta energy: -1.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -926.919096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.919096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.919096 (E_RNA)
where:
Base-Base interactions energy: -641.529
where: short stacking energy: -281.405
Base-Backbone interact. energy: -0.828
local terms energy: -284.562084
where:
bonds (distance) C4'-P energy: -44.685
bonds (distance) P-C4' energy: -58.211
flat angles C4'-P-C4' energy: -60.275
flat angles P-C4'-P energy: -41.122
tors. eta vs tors. theta energy: -80.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -885.732232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.732232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.732232 (E_RNA)
where:
Base-Base interactions energy: -588.883
where: short stacking energy: -264.120
Base-Backbone interact. energy: 1.494
local terms energy: -298.342690
where:
bonds (distance) C4'-P energy: -58.931
bonds (distance) P-C4' energy: -58.939
flat angles C4'-P-C4' energy: -63.828
flat angles P-C4'-P energy: -39.674
tors. eta vs tors. theta energy: -76.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -806.204880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.204880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.204880 (E_RNA)
where:
Base-Base interactions energy: -542.766
where: short stacking energy: -237.979
Base-Backbone interact. energy: -0.306
local terms energy: -263.132768
where:
bonds (distance) C4'-P energy: -48.485
bonds (distance) P-C4' energy: -56.760
flat angles C4'-P-C4' energy: -53.897
flat angles P-C4'-P energy: -34.517
tors. eta vs tors. theta energy: -69.474
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: 5
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -768.607157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.607157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.607157 (E_RNA)
where:
Base-Base interactions energy: -518.732
where: short stacking energy: -227.948
Base-Backbone interact. energy: 3.523
local terms energy: -253.397900
where:
bonds (distance) C4'-P energy: -42.468
bonds (distance) P-C4' energy: -50.807
flat angles C4'-P-C4' energy: -60.126
flat angles P-C4'-P energy: -37.471
tors. eta vs tors. theta energy: -62.527
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: 5, replica: 7
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -714.869846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.869846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.869846 (E_RNA)
where:
Base-Base interactions energy: -487.901
where: short stacking energy: -191.938
Base-Backbone interact. energy: -0.569
local terms energy: -226.399228
where:
bonds (distance) C4'-P energy: -49.225
bonds (distance) P-C4' energy: -51.826
flat angles C4'-P-C4' energy: -46.901
flat angles P-C4'-P energy: -25.372
tors. eta vs tors. theta energy: -53.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -665.712267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.712267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.712267 (E_RNA)
where:
Base-Base interactions energy: -448.238
where: short stacking energy: -202.818
Base-Backbone interact. energy: 0.188
local terms energy: -217.661618
where:
bonds (distance) C4'-P energy: -39.550
bonds (distance) P-C4' energy: -55.184
flat angles C4'-P-C4' energy: -49.318
flat angles P-C4'-P energy: -25.902
tors. eta vs tors. theta energy: -47.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -571.936134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.936134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.936134 (E_RNA)
where:
Base-Base interactions energy: -362.212
where: short stacking energy: -138.285
Base-Backbone interact. energy: 0.657
local terms energy: -210.381124
where:
bonds (distance) C4'-P energy: -43.117
bonds (distance) P-C4' energy: -48.472
flat angles C4'-P-C4' energy: -51.577
flat angles P-C4'-P energy: -32.083
tors. eta vs tors. theta energy: -35.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -567.215430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.215430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.215430 (E_RNA)
where:
Base-Base interactions energy: -372.640
where: short stacking energy: -161.326
Base-Backbone interact. energy: -1.347
local terms energy: -193.228177
where:
bonds (distance) C4'-P energy: -46.421
bonds (distance) P-C4' energy: -36.132
flat angles C4'-P-C4' energy: -50.659
flat angles P-C4'-P energy: -24.503
tors. eta vs tors. theta energy: -35.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -398.457000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.457000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.457000 (E_RNA)
where:
Base-Base interactions energy: -215.604
where: short stacking energy: -106.040
Base-Backbone interact. energy: 0.627
local terms energy: -183.479470
where:
bonds (distance) C4'-P energy: -53.586
bonds (distance) P-C4' energy: -42.646
flat angles C4'-P-C4' energy: -43.213
flat angles P-C4'-P energy: -24.619
tors. eta vs tors. theta energy: -19.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -287.402261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.402261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.402261 (E_RNA)
where:
Base-Base interactions energy: -132.726
where: short stacking energy: -77.925
Base-Backbone interact. energy: -0.835
local terms energy: -153.840655
where:
bonds (distance) C4'-P energy: -42.844
bonds (distance) P-C4' energy: -53.290
flat angles C4'-P-C4' energy: -39.568
flat angles P-C4'-P energy: -23.377
tors. eta vs tors. theta energy: 5.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -924.931030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.931030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.931030 (E_RNA)
where:
Base-Base interactions energy: -618.605
where: short stacking energy: -277.269
Base-Backbone interact. energy: -0.300
local terms energy: -306.025777
where:
bonds (distance) C4'-P energy: -63.617
bonds (distance) P-C4' energy: -52.656
flat angles C4'-P-C4' energy: -59.382
flat angles P-C4'-P energy: -43.690
tors. eta vs tors. theta energy: -86.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -882.565840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.565840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.565840 (E_RNA)
where:
Base-Base interactions energy: -602.889
where: short stacking energy: -259.149
Base-Backbone interact. energy: -1.610
local terms energy: -278.067178
where:
bonds (distance) C4'-P energy: -52.178
bonds (distance) P-C4' energy: -51.674
flat angles C4'-P-C4' energy: -58.087
flat angles P-C4'-P energy: -44.773
tors. eta vs tors. theta energy: -71.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -814.567441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.567441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.567441 (E_RNA)
where:
Base-Base interactions energy: -564.920
where: short stacking energy: -247.140
Base-Backbone interact. energy: -0.771
local terms energy: -248.876198
where:
bonds (distance) C4'-P energy: -41.979
bonds (distance) P-C4' energy: -45.926
flat angles C4'-P-C4' energy: -56.290
flat angles P-C4'-P energy: -42.526
tors. eta vs tors. theta energy: -62.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -788.859263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.859263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.859263 (E_RNA)
where:
Base-Base interactions energy: -547.542
where: short stacking energy: -242.271
Base-Backbone interact. energy: 0.018
local terms energy: -241.335252
where:
bonds (distance) C4'-P energy: -45.127
bonds (distance) P-C4' energy: -44.026
flat angles C4'-P-C4' energy: -54.066
flat angles P-C4'-P energy: -37.653
tors. eta vs tors. theta energy: -60.464
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: 7
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -695.417062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.417062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.417062 (E_RNA)
where:
Base-Base interactions energy: -458.252
where: short stacking energy: -207.460
Base-Backbone interact. energy: -0.669
local terms energy: -236.495883
where:
bonds (distance) C4'-P energy: -55.499
bonds (distance) P-C4' energy: -48.069
flat angles C4'-P-C4' energy: -48.054
flat angles P-C4'-P energy: -35.331
tors. eta vs tors. theta energy: -49.543
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: 1
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -617.006772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.006772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.006772 (E_RNA)
where:
Base-Base interactions energy: -404.835
where: short stacking energy: -188.429
Base-Backbone interact. energy: 2.468
local terms energy: -214.640227
where:
bonds (distance) C4'-P energy: -43.370
bonds (distance) P-C4' energy: -55.068
flat angles C4'-P-C4' energy: -45.983
flat angles P-C4'-P energy: -32.336
tors. eta vs tors. theta energy: -37.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -645.418679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.418679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.418679 (E_RNA)
where:
Base-Base interactions energy: -416.183
where: short stacking energy: -195.113
Base-Backbone interact. energy: -0.535
local terms energy: -228.700850
where:
bonds (distance) C4'-P energy: -46.745
bonds (distance) P-C4' energy: -53.484
flat angles C4'-P-C4' energy: -54.562
flat angles P-C4'-P energy: -26.787
tors. eta vs tors. theta energy: -47.124
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: 8
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -566.583748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.583748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.583748 (E_RNA)
where:
Base-Base interactions energy: -365.498
where: short stacking energy: -162.421
Base-Backbone interact. energy: -0.917
local terms energy: -200.168435
where:
bonds (distance) C4'-P energy: -37.265
bonds (distance) P-C4' energy: -53.251
flat angles C4'-P-C4' energy: -46.781
flat angles P-C4'-P energy: -35.378
tors. eta vs tors. theta energy: -27.494
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: 9
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -379.479076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.479076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.479076 (E_RNA)
where:
Base-Base interactions energy: -213.361
where: short stacking energy: -100.865
Base-Backbone interact. energy: 0.352
local terms energy: -166.470033
where:
bonds (distance) C4'-P energy: -45.049
bonds (distance) P-C4' energy: -40.252
flat angles C4'-P-C4' energy: -38.168
flat angles P-C4'-P energy: -24.803
tors. eta vs tors. theta energy: -18.198
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: 10
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -280.297069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.297069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.297069 (E_RNA)
where:
Base-Base interactions energy: -124.116
where: short stacking energy: -78.392
Base-Backbone interact. energy: -0.602
local terms energy: -155.579852
where:
bonds (distance) C4'-P energy: -32.166
bonds (distance) P-C4' energy: -54.157
flat angles C4'-P-C4' energy: -34.286
flat angles P-C4'-P energy: -26.133
tors. eta vs tors. theta energy: -8.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -907.246958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.246958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.246958 (E_RNA)
where:
Base-Base interactions energy: -615.446
where: short stacking energy: -261.755
Base-Backbone interact. energy: -1.768
local terms energy: -290.032926
where:
bonds (distance) C4'-P energy: -52.367
bonds (distance) P-C4' energy: -56.404
flat angles C4'-P-C4' energy: -65.284
flat angles P-C4'-P energy: -41.863
tors. eta vs tors. theta energy: -74.116
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: 2
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -910.349873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.349873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.349873 (E_RNA)
where:
Base-Base interactions energy: -615.193
where: short stacking energy: -279.563
Base-Backbone interact. energy: 1.570
local terms energy: -296.727135
where:
bonds (distance) C4'-P energy: -54.662
bonds (distance) P-C4' energy: -59.947
flat angles C4'-P-C4' energy: -53.622
flat angles P-C4'-P energy: -40.486
tors. eta vs tors. theta energy: -88.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -807.482669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.482669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.482669 (E_RNA)
where:
Base-Base interactions energy: -554.710
where: short stacking energy: -238.644
Base-Backbone interact. energy: -0.501
local terms energy: -252.271225
where:
bonds (distance) C4'-P energy: -46.958
bonds (distance) P-C4' energy: -50.377
flat angles C4'-P-C4' energy: -55.368
flat angles P-C4'-P energy: -40.191
tors. eta vs tors. theta energy: -59.377
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: 6
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -793.563479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.563479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.563479 (E_RNA)
where:
Base-Base interactions energy: -533.291
where: short stacking energy: -236.369
Base-Backbone interact. energy: -1.402
local terms energy: -258.870159
where:
bonds (distance) C4'-P energy: -45.814
bonds (distance) P-C4' energy: -48.040
flat angles C4'-P-C4' energy: -60.018
flat angles P-C4'-P energy: -40.771
tors. eta vs tors. theta energy: -64.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -745.698567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.698567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.698567 (E_RNA)
where:
Base-Base interactions energy: -505.385
where: short stacking energy: -221.328
Base-Backbone interact. energy: 0.975
local terms energy: -241.287698
where:
bonds (distance) C4'-P energy: -47.873
bonds (distance) P-C4' energy: -43.624
flat angles C4'-P-C4' energy: -54.283
flat angles P-C4'-P energy: -34.302
tors. eta vs tors. theta energy: -61.206
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: 494
Temperature: 1.150000
Total energy: -639.286897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.286897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.286897 (E_RNA)
where:
Base-Base interactions energy: -413.542
where: short stacking energy: -176.606
Base-Backbone interact. energy: -1.630
local terms energy: -224.114303
where:
bonds (distance) C4'-P energy: -51.016
bonds (distance) P-C4' energy: -48.969
flat angles C4'-P-C4' energy: -47.445
flat angles P-C4'-P energy: -30.240
tors. eta vs tors. theta energy: -46.444
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: 8
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -655.224096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.224096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.224096 (E_RNA)
where:
Base-Base interactions energy: -428.513
where: short stacking energy: -201.260
Base-Backbone interact. energy: 0.633
local terms energy: -227.344460
where:
bonds (distance) C4'-P energy: -48.133
bonds (distance) P-C4' energy: -54.339
flat angles C4'-P-C4' energy: -43.850
flat angles P-C4'-P energy: -29.454
tors. eta vs tors. theta energy: -51.569
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: 4
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -612.533159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.533159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.533159 (E_RNA)
where:
Base-Base interactions energy: -412.972
where: short stacking energy: -177.742
Base-Backbone interact. energy: -1.418
local terms energy: -198.143135
where:
bonds (distance) C4'-P energy: -38.133
bonds (distance) P-C4' energy: -36.863
flat angles C4'-P-C4' energy: -52.272
flat angles P-C4'-P energy: -24.655
tors. eta vs tors. theta energy: -46.220
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: 10
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -284.130356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.130356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.130356 (E_RNA)
where:
Base-Base interactions energy: -140.460
where: short stacking energy: -86.568
Base-Backbone interact. energy: -1.979
local terms energy: -141.692080
where:
bonds (distance) C4'-P energy: -37.420
bonds (distance) P-C4' energy: -45.155
flat angles C4'-P-C4' energy: -37.449
flat angles P-C4'-P energy: -19.006
tors. eta vs tors. theta energy: -2.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -392.530995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.530995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.530995 (E_RNA)
where:
Base-Base interactions energy: -228.478
where: short stacking energy: -110.597
Base-Backbone interact. energy: -0.442
local terms energy: -163.610699
where:
bonds (distance) C4'-P energy: -43.529
bonds (distance) P-C4' energy: -40.509
flat angles C4'-P-C4' energy: -45.091
flat angles P-C4'-P energy: -28.352
tors. eta vs tors. theta energy: -6.129
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: 3
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -895.393854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.393854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.393854 (E_RNA)
where:
Base-Base interactions energy: -627.084
where: short stacking energy: -263.466
Base-Backbone interact. energy: 0.370
local terms energy: -268.679054
where:
bonds (distance) C4'-P energy: -55.862
bonds (distance) P-C4' energy: -53.335
flat angles C4'-P-C4' energy: -55.915
flat angles P-C4'-P energy: -37.151
tors. eta vs tors. theta energy: -66.416
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: 495
Temperature: 0.950000
Total energy: -862.977118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.977118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.977118 (E_RNA)
where:
Base-Base interactions energy: -597.489
where: short stacking energy: -266.593
Base-Backbone interact. energy: -1.153
local terms energy: -264.335154
where:
bonds (distance) C4'-P energy: -44.838
bonds (distance) P-C4' energy: -55.334
flat angles C4'-P-C4' energy: -56.712
flat angles P-C4'-P energy: -35.091
tors. eta vs tors. theta energy: -72.360
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: 3, replica: 2
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -871.880532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.880532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.880532 (E_RNA)
where:
Base-Base interactions energy: -598.003
where: short stacking energy: -251.511
Base-Backbone interact. energy: -1.820
local terms energy: -272.057671
where:
bonds (distance) C4'-P energy: -50.827
bonds (distance) P-C4' energy: -49.629
flat angles C4'-P-C4' energy: -56.924
flat angles P-C4'-P energy: -35.690
tors. eta vs tors. theta energy: -78.987
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: 6
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -804.751650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.751650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.751650 (E_RNA)
where:
Base-Base interactions energy: -536.169
where: short stacking energy: -237.998
Base-Backbone interact. energy: -0.758
local terms energy: -267.823887
where:
bonds (distance) C4'-P energy: -56.654
bonds (distance) P-C4' energy: -53.714
flat angles C4'-P-C4' energy: -53.424
flat angles P-C4'-P energy: -38.895
tors. eta vs tors. theta energy: -65.138
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: 7
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -753.496622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.496622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.496622 (E_RNA)
where:
Base-Base interactions energy: -527.723
where: short stacking energy: -235.496
Base-Backbone interact. energy: -1.374
local terms energy: -224.400068
where:
bonds (distance) C4'-P energy: -49.157
bonds (distance) P-C4' energy: -36.314
flat angles C4'-P-C4' energy: -55.986
flat angles P-C4'-P energy: -30.790
tors. eta vs tors. theta energy: -52.153
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: 6, replica: 1
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -668.351813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.351813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.351813 (E_RNA)
where:
Base-Base interactions energy: -453.753
where: short stacking energy: -188.989
Base-Backbone interact. energy: 0.286
local terms energy: -214.884659
where:
bonds (distance) C4'-P energy: -52.551
bonds (distance) P-C4' energy: -45.354
flat angles C4'-P-C4' energy: -42.096
flat angles P-C4'-P energy: -38.515
tors. eta vs tors. theta energy: -36.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -575.385470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.385470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.385470 (E_RNA)
where:
Base-Base interactions energy: -359.724
where: short stacking energy: -165.080
Base-Backbone interact. energy: 0.702
local terms energy: -216.363801
where:
bonds (distance) C4'-P energy: -47.311
bonds (distance) P-C4' energy: -44.585
flat angles C4'-P-C4' energy: -46.075
flat angles P-C4'-P energy: -33.195
tors. eta vs tors. theta energy: -45.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -630.789219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.789219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.789219 (E_RNA)
where:
Base-Base interactions energy: -423.107
where: short stacking energy: -190.944
Base-Backbone interact. energy: 2.825
local terms energy: -210.507391
where:
bonds (distance) C4'-P energy: -34.332
bonds (distance) P-C4' energy: -49.058
flat angles C4'-P-C4' energy: -51.136
flat angles P-C4'-P energy: -29.691
tors. eta vs tors. theta energy: -46.290
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: 9, replica: 10
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -302.439082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.439082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.439082 (E_RNA)
where:
Base-Base interactions energy: -155.716
where: short stacking energy: -98.483
Base-Backbone interact. energy: -0.311
local terms energy: -146.411600
where:
bonds (distance) C4'-P energy: -49.356
bonds (distance) P-C4' energy: -39.695
flat angles C4'-P-C4' energy: -33.018
flat angles P-C4'-P energy: -23.617
tors. eta vs tors. theta energy: -0.726
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: 9
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -383.331213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.331213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.331213 (E_RNA)
where:
Base-Base interactions energy: -210.044
where: short stacking energy: -106.944
Base-Backbone interact. energy: -0.683
local terms energy: -172.604900
where:
bonds (distance) C4'-P energy: -38.619
bonds (distance) P-C4' energy: -42.629
flat angles C4'-P-C4' energy: -45.869
flat angles P-C4'-P energy: -31.141
tors. eta vs tors. theta energy: -14.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -916.598476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.598476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.598476 (E_RNA)
where:
Base-Base interactions energy: -621.453
where: short stacking energy: -278.360
Base-Backbone interact. energy: -2.485
local terms energy: -292.660303
where:
bonds (distance) C4'-P energy: -57.882
bonds (distance) P-C4' energy: -52.711
flat angles C4'-P-C4' energy: -62.264
flat angles P-C4'-P energy: -40.901
tors. eta vs tors. theta energy: -78.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -851.637347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.637347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.637347 (E_RNA)
where:
Base-Base interactions energy: -574.930
where: short stacking energy: -256.887
Base-Backbone interact. energy: -0.603
local terms energy: -276.104753
where:
bonds (distance) C4'-P energy: -51.827
bonds (distance) P-C4' energy: -54.736
flat angles C4'-P-C4' energy: -63.012
flat angles P-C4'-P energy: -39.509
tors. eta vs tors. theta energy: -67.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -879.405668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.405668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.405668 (E_RNA)
where:
Base-Base interactions energy: -596.303
where: short stacking energy: -261.095
Base-Backbone interact. energy: -0.908
local terms energy: -282.194379
where:
bonds (distance) C4'-P energy: -42.817
bonds (distance) P-C4' energy: -60.662
flat angles C4'-P-C4' energy: -54.880
flat angles P-C4'-P energy: -45.396
tors. eta vs tors. theta energy: -78.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -783.764407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.764407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.764407 (E_RNA)
where:
Base-Base interactions energy: -525.973
where: short stacking energy: -245.540
Base-Backbone interact. energy: -0.434
local terms energy: -257.356867
where:
bonds (distance) C4'-P energy: -48.662
bonds (distance) P-C4' energy: -52.597
flat angles C4'-P-C4' energy: -50.970
flat angles P-C4'-P energy: -43.784
tors. eta vs tors. theta energy: -61.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -755.223510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.223510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.223510 (E_RNA)
where:
Base-Base interactions energy: -514.191
where: short stacking energy: -233.710
Base-Backbone interact. energy: -1.660
local terms energy: -239.373013
where:
bonds (distance) C4'-P energy: -43.978
bonds (distance) P-C4' energy: -49.147
flat angles C4'-P-C4' energy: -47.148
flat angles P-C4'-P energy: -42.200
tors. eta vs tors. theta energy: -56.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -612.360907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.360907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.360907 (E_RNA)
where:
Base-Base interactions energy: -397.336
where: short stacking energy: -165.042
Base-Backbone interact. energy: -2.725
local terms energy: -212.299753
where:
bonds (distance) C4'-P energy: -51.856
bonds (distance) P-C4' energy: -47.915
flat angles C4'-P-C4' energy: -46.545
flat angles P-C4'-P energy: -23.955
tors. eta vs tors. theta energy: -42.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -624.597494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.597494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.597494 (E_RNA)
where:
Base-Base interactions energy: -426.421
where: short stacking energy: -185.392
Base-Backbone interact. energy: -2.026
local terms energy: -196.150830
where:
bonds (distance) C4'-P energy: -39.271
bonds (distance) P-C4' energy: -47.970
flat angles C4'-P-C4' energy: -49.808
flat angles P-C4'-P energy: -23.225
tors. eta vs tors. theta energy: -35.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -544.316926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.316926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.316926 (E_RNA)
where:
Base-Base interactions energy: -343.717
where: short stacking energy: -163.224
Base-Backbone interact. energy: -2.883
local terms energy: -197.716545
where:
bonds (distance) C4'-P energy: -50.029
bonds (distance) P-C4' energy: -50.939
flat angles C4'-P-C4' energy: -53.096
flat angles P-C4'-P energy: -14.220
tors. eta vs tors. theta energy: -29.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -404.104050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.104050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.104050 (E_RNA)
where:
Base-Base interactions energy: -239.566
where: short stacking energy: -117.738
Base-Backbone interact. energy: -0.618
local terms energy: -163.919818
where:
bonds (distance) C4'-P energy: -36.754
bonds (distance) P-C4' energy: -47.794
flat angles C4'-P-C4' energy: -38.105
flat angles P-C4'-P energy: -27.064
tors. eta vs tors. theta energy: -14.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -296.945025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.945025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.945025 (E_RNA)
where:
Base-Base interactions energy: -162.798
where: short stacking energy: -88.151
Base-Backbone interact. energy: -0.165
local terms energy: -133.981870
where:
bonds (distance) C4'-P energy: -43.846
bonds (distance) P-C4' energy: -38.863
flat angles C4'-P-C4' energy: -41.424
flat angles P-C4'-P energy: -12.030
tors. eta vs tors. theta energy: 2.180
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: 3
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -905.981972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.981972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.981972 (E_RNA)
where:
Base-Base interactions energy: -626.185
where: short stacking energy: -267.678
Base-Backbone interact. energy: -0.003
local terms energy: -279.793785
where:
bonds (distance) C4'-P energy: -50.415
bonds (distance) P-C4' energy: -57.264
flat angles C4'-P-C4' energy: -62.081
flat angles P-C4'-P energy: -38.577
tors. eta vs tors. theta energy: -71.457
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: 2, replica: 5
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -850.438147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.438147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.438147 (E_RNA)
where:
Base-Base interactions energy: -585.515
where: short stacking energy: -251.201
Base-Backbone interact. energy: 0.681
local terms energy: -265.604813
where:
bonds (distance) C4'-P energy: -55.349
bonds (distance) P-C4' energy: -45.672
flat angles C4'-P-C4' energy: -59.687
flat angles P-C4'-P energy: -38.606
tors. eta vs tors. theta energy: -66.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -894.811456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.811456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.811456 (E_RNA)
where:
Base-Base interactions energy: -617.785
where: short stacking energy: -267.787
Base-Backbone interact. energy: -1.574
local terms energy: -275.452498
where:
bonds (distance) C4'-P energy: -41.486
bonds (distance) P-C4' energy: -47.053
flat angles C4'-P-C4' energy: -59.464
flat angles P-C4'-P energy: -46.631
tors. eta vs tors. theta energy: -80.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -753.373919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.373919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.373919 (E_RNA)
where:
Base-Base interactions energy: -518.435
where: short stacking energy: -223.737
Base-Backbone interact. energy: -1.486
local terms energy: -233.452250
where:
bonds (distance) C4'-P energy: -37.782
bonds (distance) P-C4' energy: -53.080
flat angles C4'-P-C4' energy: -51.884
flat angles P-C4'-P energy: -38.425
tors. eta vs tors. theta energy: -52.281
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: 5, replica: 6
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -774.324779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.324779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.324779 (E_RNA)
where:
Base-Base interactions energy: -515.512
where: short stacking energy: -211.250
Base-Backbone interact. energy: -0.515
local terms energy: -258.297929
where:
bonds (distance) C4'-P energy: -54.302
bonds (distance) P-C4' energy: -49.984
flat angles C4'-P-C4' energy: -52.506
flat angles P-C4'-P energy: -35.751
tors. eta vs tors. theta energy: -65.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -655.833721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.833721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.833721 (E_RNA)
where:
Base-Base interactions energy: -438.643
where: short stacking energy: -191.188
Base-Backbone interact. energy: -1.024
local terms energy: -216.167399
where:
bonds (distance) C4'-P energy: -40.565
bonds (distance) P-C4' energy: -50.638
flat angles C4'-P-C4' energy: -47.517
flat angles P-C4'-P energy: -29.423
tors. eta vs tors. theta energy: -48.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -579.475798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.475798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.475798 (E_RNA)
where:
Base-Base interactions energy: -375.911
where: short stacking energy: -175.443
Base-Backbone interact. energy: -0.819
local terms energy: -202.745498
where:
bonds (distance) C4'-P energy: -41.938
bonds (distance) P-C4' energy: -44.893
flat angles C4'-P-C4' energy: -42.444
flat angles P-C4'-P energy: -32.438
tors. eta vs tors. theta energy: -41.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -452.771917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.771917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.771917 (E_RNA)
where:
Base-Base interactions energy: -264.132
where: short stacking energy: -134.038
Base-Backbone interact. energy: -1.634
local terms energy: -187.005707
where:
bonds (distance) C4'-P energy: -45.451
bonds (distance) P-C4' energy: -49.787
flat angles C4'-P-C4' energy: -42.057
flat angles P-C4'-P energy: -30.277
tors. eta vs tors. theta energy: -19.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -468.005661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.005661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.005661 (E_RNA)
where:
Base-Base interactions energy: -276.638
where: short stacking energy: -125.921
Base-Backbone interact. energy: -1.195
local terms energy: -190.172906
where:
bonds (distance) C4'-P energy: -46.193
bonds (distance) P-C4' energy: -44.724
flat angles C4'-P-C4' energy: -51.660
flat angles P-C4'-P energy: -31.527
tors. eta vs tors. theta energy: -16.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -278.672695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.672695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.672695 (E_RNA)
where:
Base-Base interactions energy: -129.460
where: short stacking energy: -80.788
Base-Backbone interact. energy: 0.979
local terms energy: -150.190928
where:
bonds (distance) C4'-P energy: -55.649
bonds (distance) P-C4' energy: -36.859
flat angles C4'-P-C4' energy: -38.608
flat angles P-C4'-P energy: -20.469
tors. eta vs tors. theta energy: 1.395
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)
out arg RESULTS//1/Denv4_dominio3_RNAco-1be00445_01
DONE
DONE
DONE
DONE
DONE
DONE